Wednesday, June 27, 2012

All Chemical Compounds Information




Product OPENEYE NAME: ethyl (4S,5S)-3-[(4-methylbenzoyl)amino]-5-(4-nitrophenyl)-2-oxo-oxazolidine-4-carboxylate
CAS Name: (4S,5S)-3-[[(4-methylphenyl)-oxomethyl]amino]-5-(4-nitrophenyl)-2-oxo-4-oxazolidinecarboxylic acid ethyl ester
IUPAC NAME: ethyl (4S,5S)-3-[(4-methylbenzoyl)amino]-5-(4-nitrophenyl)-2-oxo-1,3-oxazolidine-4-carboxylate
SYSTEMATIC NAME: ethyl (4S,5S)-3-[(4-methylphenyl)carbonylamino]-5-(4-nitrophenyl)-2-oxidanylidene-1,3-oxazolidine-4-carboxylate
MOLECULAR FORMULA: C20H19N3O7
MOLECULAR WEIGHT: 413.38076
SMILES: CCOC(=O)[C@@H]1[C@@H](OC(=O)N1NC(=O)C2=CC=C(C=C2)C)C3=CC=C(C=C3)[N+](=O)[O-]
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Product OPENEYE NAME: ethyl 2-[5-(4-methoxyphenyl)-2-oxo-1,3,4-oxadiazol-3-yl]acetate
CAS Name: 2-[5-(4-methoxyphenyl)-2-oxo-1,3,4-oxadiazol-3-yl]acetic acid ethyl ester
IUPAC NAME: ethyl 2-[5-(4-methoxyphenyl)-2-oxo-1,3,4-oxadiazol-3-yl]acetate
SYSTEMATIC NAME: ethyl 2-[5-(4-methoxyphenyl)-2-oxidanylidene-1,3,4-oxadiazol-3-yl]ethanoate
MOLECULAR FORMULA: C13H14N2O5
MOLECULAR WEIGHT: 278.26066
SMILES: CCOC(=O)CN1C(=O)OC(=N1)C2=CC=C(C=C2)OC
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Product OPENEYE NAME: ethyl 2-[5-(4-nitrophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]acetate
CAS Name: 2-[5-(4-nitrophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]acetic acid ethyl ester
IUPAC NAME: ethyl 2-[5-(4-nitrophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]acetate
SYSTEMATIC NAME: ethyl 2-[5-(4-nitrophenyl)-2-oxidanylidene-1,3,4-oxadiazol-3-yl]ethanoate
MOLECULAR FORMULA: C12H11N3O6
MOLECULAR WEIGHT: 293.23224
SMILES: CCOC(=O)CN1C(=O)OC(=N1)C2=CC=C(C=C2)[N+](=O)[O-]
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Product OPENEYE NAME: ethyl 2-[ethoxycarbonyl-[(4-methylbenzoyl)amino]amino]acetate
CAS Name: 2-[ethoxycarbonyl-[[(4-methylphenyl)-oxomethyl]amino]amino]acetic acid ethyl ester
IUPAC NAME: ethyl 2-[ethoxycarbonyl-[(4-methylbenzoyl)amino]amino]acetate
SYSTEMATIC NAME: ethyl 2-[ethoxycarbonyl-[(4-methylphenyl)carbonylamino]amino]ethanoate
MOLECULAR FORMULA: C15H20N2O5
MOLECULAR WEIGHT: 308.3297
SMILES: CCOC(=O)CN(C(=O)OCC)NC(=O)C1=CC=C(C=C1)C
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Product OPENEYE NAME: 2-hydroxy-3-(2-methoxyphenyl)-1H-1,5-naphthyridin-4-one
CAS Name: 2-hydroxy-3-(2-methoxyphenyl)-1H-1,5-naphthyridin-4-one
IUPAC NAME: 2-hydroxy-3-(2-methoxyphenyl)-1H-1,5-naphthyridin-4-one
SYSTEMATIC NAME: 3-(2-methoxyphenyl)-2-oxidanyl-1H-1,5-naphthyridin-4-one
MOLECULAR FORMULA: C15H12N2O3
MOLECULAR WEIGHT: 268.26738
SMILES: COC1=CC=CC=C1C2=C(NC3=C(C2=O)N=CC=C3)O
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Product OPENEYE NAME: 2-hydroxy-3-(2-methoxyphenyl)-1H-1,8-naphthyridin-4-one
CAS Name: 2-hydroxy-3-(2-methoxyphenyl)-1H-1,8-naphthyridin-4-one
IUPAC NAME: 2-hydroxy-3-(2-methoxyphenyl)-1H-1,8-naphthyridin-4-one
SYSTEMATIC NAME: 3-(2-methoxyphenyl)-2-oxidanyl-1H-1,8-naphthyridin-4-one
MOLECULAR FORMULA: C15H12N2O3
MOLECULAR WEIGHT: 268.26738
SMILES: COC1=CC=CC=C1C2=C(NC3=C(C2=O)C=CC=N3)O
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Product OPENEYE NAME: (6Z)-6-(2,4-dichloro-5H-1,5-naphthyridin-3-ylidene)cyclohexa-2,4-dien-1-one
CAS Name: (6Z)-6-(2,4-dichloro-5H-1,5-naphthyridin-3-ylidene)-1-cyclohexa-2,4-dienone
IUPAC NAME: (6Z)-6-(2,4-dichloro-5H-1,5-naphthyridin-3-ylidene)cyclohexa-2,4-dien-1-one
SYSTEMATIC NAME: (6Z)-6-[2,4-bis(chloranyl)-5H-1,5-naphthyridin-3-ylidene]cyclohexa-2,4-dien-1-one
MOLECULAR FORMULA: C14H8Cl2N2O
MOLECULAR WEIGHT: 291.13212
SMILES: C1=C/C(=C/2\C(=C3C(=CC=CN3)N=C2Cl)Cl)/C(=O)C=C1
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Product OPENEYE NAME: 2-(2,4-dichloro-1,8-naphthyridin-3-yl)phenol
CAS Name: 2-(2,4-dichloro-1,8-naphthyridin-3-yl)phenol
IUPAC NAME: 2-(2,4-dichloro-1,8-naphthyridin-3-yl)phenol
SYSTEMATIC NAME: 2-[2,4-bis(chloranyl)-1,8-naphthyridin-3-yl]phenol
MOLECULAR FORMULA: C14H8Cl2N2O
MOLECULAR WEIGHT: 291.13212
SMILES: C1=CC=C(C(=C1)C2=C(N=C3C(=C2Cl)C=CC=N3)Cl)O
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Product OPENEYE NAME: N-[[(2E)-1-methyl-2-(pyridine-3-carbonylhydrazono)propylidene]amino]pyridine-3-carboxamide
CAS Name: N-[[(3E)-3-[[oxo(3-pyridinyl)methyl]hydrazinylidene]butan-2-ylidene]amino]-3-pyridinecarboxamide
IUPAC NAME: N-[[(3E)-3-(pyridine-3-carbonylhydrazinylidene)butan-2-ylidene]amino]pyridine-3-carboxamide
SYSTEMATIC NAME: N-[[(3E)-3-(pyridin-3-ylcarbonylhydrazinylidene)butan-2-ylidene]amino]pyridine-3-carboxamide
MOLECULAR FORMULA: C16H16N6O2
MOLECULAR WEIGHT: 324.33724
SMILES: CC(=NNC(=O)C1=CN=CC=C1)/C(=N/NC(=O)C2=CN=CC=C2)/C
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Product OPENEYE NAME: N-[(Z)-[(2E)-1-methyl-2-[(4-nitrobenzoyl)hydrazono]propylidene]amino]-4-nitro-benzamide
CAS Name: 4-nitro-N-[(Z)-[(3E)-3-[[(4-nitrophenyl)-oxomethyl]hydrazinylidene]butan-2-ylidene]amino]benzamide
IUPAC NAME: 4-nitro-N-[(Z)-[(3E)-3-[(4-nitrobenzoyl)hydrazinylidene]butan-2-ylidene]amino]benzamide
SYSTEMATIC NAME: 4-nitro-N-[(Z)-[(3E)-3-[(4-nitrophenyl)carbonylhydrazinylidene]butan-2-ylidene]amino]benzamide
MOLECULAR FORMULA: C18H16N6O6
MOLECULAR WEIGHT: 412.35624
SMILES: C/C(=N\NC(=O)C1=CC=C(C=C1)[N+](=O)[O-])/C(=N\NC(=O)C2=CC=C(C=C2)[N+](=O)[O-])/C
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Product OPENEYE NAME: N-[(E)-[(2E)-1,2-bis(4-methoxyphenyl)-2-(pyridine-3-carbonylhydrazono)ethylidene]amino]pyridine-3-carboxamide
CAS Name: N-[(E)-[(2E)-1,2-bis(4-methoxyphenyl)-2-[[oxo(3-pyridinyl)methyl]hydrazinylidene]ethylidene]amino]-3-pyridinecarboxamide
IUPAC NAME: N-[(E)-[(2E)-1,2-bis(4-methoxyphenyl)-2-(pyridine-3-carbonylhydrazinylidene)ethylidene]amino]pyridine-3-carboxamide
SYSTEMATIC NAME: N-[(E)-[(2E)-1,2-bis(4-methoxyphenyl)-2-(pyridin-3-ylcarbonylhydrazinylidene)ethylidene]amino]pyridine-3-carboxamide
MOLECULAR FORMULA: C28H24N6O4
MOLECULAR WEIGHT: 508.52796
SMILES: COC1=CC=C(C=C1)/C(=N\NC(=O)C2=CN=CC=C2)/C(=N/NC(=O)C3=CN=CC=C3)/C4=CC=C(C=C4)OC
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Product OPENEYE NAME: N-[(E)-[(2E)-1,2-diphenyl-2-(pyridine-3-carbonylhydrazono)ethylidene]amino]pyridine-3-carboxamide
CAS Name: N-[(E)-[(2E)-2-[[oxo(3-pyridinyl)methyl]hydrazinylidene]-1,2-diphenylethylidene]amino]-3-pyridinecarboxamide
IUPAC NAME: N-[(E)-[(2E)-1,2-diphenyl-2-(pyridine-3-carbonylhydrazinylidene)ethylidene]amino]pyridine-3-carboxamide
SYSTEMATIC NAME: N-[(E)-[(2E)-1,2-diphenyl-2-(pyridin-3-ylcarbonylhydrazinylidene)ethylidene]amino]pyridine-3-carboxamide
MOLECULAR FORMULA: C26H20N6O2
MOLECULAR WEIGHT: 448.476
SMILES: C1=CC=C(C=C1)/C(=N\NC(=O)C2=CN=CC=C2)/C(=N/NC(=O)C3=CN=CC=C3)/C4=CC=CC=C4
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Product OPENEYE NAME: N-[(E)-[(2E)-1,2-bis(4-methoxyphenyl)-2-[(4-nitrobenzoyl)hydrazono]ethylidene]amino]-4-nitro-benzamide
CAS Name: N-[(E)-[(2E)-1,2-bis(4-methoxyphenyl)-2-[[(4-nitrophenyl)-oxomethyl]hydrazinylidene]ethylidene]amino]-4-nitrobenzamide
IUPAC NAME: N-[(E)-[(2E)-1,2-bis(4-methoxyphenyl)-2-[(4-nitrobenzoyl)hydrazinylidene]ethylidene]amino]-4-nitrobenzamide
SYSTEMATIC NAME: N-[(E)-[(2E)-1,2-bis(4-methoxyphenyl)-2-[(4-nitrophenyl)carbonylhydrazinylidene]ethylidene]amino]-4-nitro-benzamide
MOLECULAR FORMULA: C30H24N6O8
MOLECULAR WEIGHT: 596.54696
SMILES: COC1=CC=C(C=C1)/C(=N\NC(=O)C2=CC=C(C=C2)[N+](=O)[O-])/C(=N/NC(=O)C3=CC=C(C=C3)[N+](=O)[O-])/C4=CC=C(C=C4)OC
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Product OPENEYE NAME: 4-nitro-N-[(E)-[(2Z)-2-[(4-nitrobenzoyl)hydrazono]-1,2-diphenyl-ethylidene]amino]benzamide
CAS Name: 4-nitro-N-[(E)-[(2Z)-2-[[(4-nitrophenyl)-oxomethyl]hydrazinylidene]-1,2-diphenylethylidene]amino]benzamide
IUPAC NAME: 4-nitro-N-[(E)-[(2Z)-2-[(4-nitrobenzoyl)hydrazinylidene]-1,2-diphenylethylidene]amino]benzamide
SYSTEMATIC NAME: 4-nitro-N-[(E)-[(2Z)-2-[(4-nitrophenyl)carbonylhydrazinylidene]-1,2-diphenyl-ethylidene]amino]benzamide
MOLECULAR FORMULA: C28H20N6O6
MOLECULAR WEIGHT: 536.495
SMILES: C1=CC=C(C=C1)/C(=N\NC(=O)C2=CC=C(C=C2)[N+](=O)[O-])/C(=N\NC(=O)C3=CC=C(C=C3)[N+](=O)[O-])/C4=CC=CC=C4
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Product OPENEYE NAME: [(E)-N-(4,5-dimethyltriazol-1-yl)-C-(3-pyridyl)carbonimidoyl] pyridine-3-carboxylate
CAS Name: 3-pyridinecarboxylic acid [(E)-(4,5-dimethyl-1-triazolyl)imino-(3-pyridinyl)methyl] ester
IUPAC NAME: [(E)-N-(4,5-dimethyltriazol-1-yl)-C-pyridin-3-ylcarbonimidoyl] pyridine-3-carboxylate
SYSTEMATIC NAME: [(E)-N-(4,5-dimethyl-1,2,3-triazol-1-yl)-C-pyridin-3-yl-carbonimidoyl] pyridine-3-carboxylate
MOLECULAR FORMULA: C16H14N6O2
MOLECULAR WEIGHT: 322.32136
SMILES: CC1=C(N(N=N1)/N=C(\C2=CN=CC=C2)/OC(=O)C3=CN=CC=C3)C
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Product OPENEYE NAME: [(E)-N-[4,5-bis(4-methoxyphenyl)triazol-1-yl]-C-(3-pyridyl)carbonimidoyl] pyridine-3-carboxylate
CAS Name: 3-pyridinecarboxylic acid [(E)-[4,5-bis(4-methoxyphenyl)-1-triazolyl]imino-(3-pyridinyl)methyl] ester
IUPAC NAME: [(E)-N-[4,5-bis(4-methoxyphenyl)triazol-1-yl]-C-pyridin-3-ylcarbonimidoyl] pyridine-3-carboxylate
SYSTEMATIC NAME: [(E)-N-[4,5-bis(4-methoxyphenyl)-1,2,3-triazol-1-yl]-C-pyridin-3-yl-carbonimidoyl] pyridine-3-carboxylate
MOLECULAR FORMULA: C28H22N6O4
MOLECULAR WEIGHT: 506.51208
SMILES: COC1=CC=C(C=C1)C2=C(N(N=N2)/N=C(\C3=CN=CC=C3)/OC(=O)C4=CN=CC=C4)C5=CC=C(C=C5)OC
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Product OPENEYE NAME: [(E)-N-(4,5-diphenyltriazol-1-yl)-C-(3-pyridyl)carbonimidoyl] pyridine-3-carboxylate
CAS Name: 3-pyridinecarboxylic acid [(E)-(4,5-diphenyl-1-triazolyl)imino-(3-pyridinyl)methyl] ester
IUPAC NAME: [(E)-N-(4,5-diphenyltriazol-1-yl)-C-pyridin-3-ylcarbonimidoyl] pyridine-3-carboxylate
SYSTEMATIC NAME: [(E)-N-(4,5-diphenyl-1,2,3-triazol-1-yl)-C-pyridin-3-yl-carbonimidoyl] pyridine-3-carboxylate
MOLECULAR FORMULA: C26H18N6O2
MOLECULAR WEIGHT: 446.46012
SMILES: C1=CC=C(C=C1)C2=C(N(N=N2)/N=C(\C3=CN=CC=C3)/OC(=O)C4=CN=CC=C4)C5=CC=CC=C5
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Product OPENEYE NAME: [(E)-N-(4,5-dimethyltriazol-1-yl)-C-(4-nitrophenyl)carbonimidoyl] 4-nitrobenzoate
CAS Name: 4-nitrobenzoic acid [(E)-(4,5-dimethyl-1-triazolyl)imino-(4-nitrophenyl)methyl] ester
IUPAC NAME: [(E)-N-(4,5-dimethyltriazol-1-yl)-C-(4-nitrophenyl)carbonimidoyl] 4-nitrobenzoate
SYSTEMATIC NAME: [(E)-N-(4,5-dimethyl-1,2,3-triazol-1-yl)-C-(4-nitrophenyl)carbonimidoyl] 4-nitrobenzoate
MOLECULAR FORMULA: C18H14N6O6
MOLECULAR WEIGHT: 410.34036
SMILES: CC1=C(N(N=N1)/N=C(\C2=CC=C(C=C2)[N+](=O)[O-])/OC(=O)C3=CC=C(C=C3)[N+](=O)[O-])C
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Product OPENEYE NAME: [(E)-N-[4,5-bis(4-methoxyphenyl)triazol-1-yl]-C-(4-nitrophenyl)carbonimidoyl] 4-nitrobenzoate
CAS Name: 4-nitrobenzoic acid [(E)-[4,5-bis(4-methoxyphenyl)-1-triazolyl]imino-(4-nitrophenyl)methyl] ester
IUPAC NAME: [(E)-N-[4,5-bis(4-methoxyphenyl)triazol-1-yl]-C-(4-nitrophenyl)carbonimidoyl] 4-nitrobenzoate
SYSTEMATIC NAME: [(E)-N-[4,5-bis(4-methoxyphenyl)-1,2,3-triazol-1-yl]-C-(4-nitrophenyl)carbonimidoyl] 4-nitrobenzoate
MOLECULAR FORMULA: C30H22N6O8
MOLECULAR WEIGHT: 594.53108
SMILES: COC1=CC=C(C=C1)C2=C(N(N=N2)/N=C(\C3=CC=C(C=C3)[N+](=O)[O-])/OC(=O)C4=CC=C(C=C4)[N+](=O)[O-])C5=CC=C(C=C5)OC
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Product OPENEYE NAME: [(Z)-N-(4,5-diphenyltriazol-1-yl)-C-(4-nitrophenyl)carbonimidoyl] 4-nitrobenzoate
CAS Name: 4-nitrobenzoic acid [(Z)-(4,5-diphenyl-1-triazolyl)imino-(4-nitrophenyl)methyl] ester
IUPAC NAME: [(Z)-N-(4,5-diphenyltriazol-1-yl)-C-(4-nitrophenyl)carbonimidoyl] 4-nitrobenzoate
SYSTEMATIC NAME: [(Z)-N-(4,5-diphenyl-1,2,3-triazol-1-yl)-C-(4-nitrophenyl)carbonimidoyl] 4-nitrobenzoate
MOLECULAR FORMULA: C28H18N6O6
MOLECULAR WEIGHT: 534.47912
SMILES: C1=CC=C(C=C1)C2=C(N(N=N2)/N=C(/C3=CC=C(C=C3)[N+](=O)[O-])\OC(=O)C4=CC=C(C=C4)[N+](=O)[O-])C5=CC=CC=C5
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Product OPENEYE NAME: N-(4,5-dimethyltriazol-1-yl)pyridine-3-carboxamide
CAS Name: N-(4,5-dimethyl-1-triazolyl)-3-pyridinecarboxamide
IUPAC NAME: N-(4,5-dimethyltriazol-1-yl)pyridine-3-carboxamide
SYSTEMATIC NAME: N-(4,5-dimethyl-1,2,3-triazol-1-yl)pyridine-3-carboxamide
MOLECULAR FORMULA: C10H11N5O
MOLECULAR WEIGHT: 217.22724
SMILES: CC1=C(N(N=N1)NC(=O)C2=CN=CC=C2)C
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Product OPENEYE NAME: N-(4,5-diphenyltriazol-1-yl)-4-nitro-benzamide
CAS Name: N-(4,5-diphenyl-1-triazolyl)-4-nitrobenzamide
IUPAC NAME: N-(4,5-diphenyltriazol-1-yl)-4-nitrobenzamide
SYSTEMATIC NAME: N-(4,5-diphenyl-1,2,3-triazol-1-yl)-4-nitro-benzamide
MOLECULAR FORMULA: C21H15N5O3
MOLECULAR WEIGHT: 385.3755
SMILES: C1=CC=C(C=C1)C2=C(N(N=N2)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4
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Product OPENEYE NAME: 3-methoxy-2-phenyl-imidazo[4,5-b]quinoxaline
CAS Name: 3-methoxy-2-phenylimidazo[4,5-b]quinoxaline
IUPAC NAME: 3-methoxy-2-phenylimidazo[4,5-b]quinoxaline
SYSTEMATIC NAME: 3-methoxy-2-phenyl-imidazo[4,5-b]quinoxaline
MOLECULAR FORMULA: C16H12N4O
MOLECULAR WEIGHT: 276.29268
SMILES: CON1C(=NC2=NC3=CC=CC=C3N=C21)C4=CC=CC=C4
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Product OPENEYE NAME: N-(4,5-diphenyltriazol-1-yl)-N-(pyridine-3-carbonyl)pyridine-3-carboxamide
CAS Name: N-(4,5-diphenyl-1-triazolyl)-N-[oxo(3-pyridinyl)methyl]-3-pyridinecarboxamide
IUPAC NAME: N-(4,5-diphenyltriazol-1-yl)-N-(pyridine-3-carbonyl)pyridine-3-carboxamide
SYSTEMATIC NAME: N-(4,5-diphenyl-1,2,3-triazol-1-yl)-N-pyridin-3-ylcarbonyl-pyridine-3-carboxamide
MOLECULAR FORMULA: C26H18N6O2
MOLECULAR WEIGHT: 446.46012
SMILES: C1=CC=C(C=C1)C2=C(N(N=N2)N(C(=O)C3=CN=CC=C3)C(=O)C4=CN=CC=C4)C5=CC=CC=C5
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