Sunday, April 29, 2012

All Chemical Compounds Information




Product OPENEYE NAME: [2-(2,4-dimethylanilino)-2-oxo-ethyl] furan-2-carboxylate
CAS Name: 2-furancarboxylic acid [2-(2,4-dimethylanilino)-2-oxoethyl] ester
IUPAC NAME: [2-(2,4-dimethylanilino)-2-oxoethyl] furan-2-carboxylate
SYSTEMATIC NAME: [2-[(2,4-dimethylphenyl)amino]-2-oxidanylidene-ethyl] furan-2-carboxylate
MOLECULAR FORMULA: C15H15NO4
MOLECULAR WEIGHT: 273.2839
SMILES: CC1=CC(=C(C=C1)NC(=O)COC(=O)C2=CC=CO2)C
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Product OPENEYE NAME: [2-(4-fluoroanilino)-2-oxo-ethyl] furan-2-carboxylate
CAS Name: 2-furancarboxylic acid [2-(4-fluoroanilino)-2-oxoethyl] ester
IUPAC NAME: [2-(4-fluoroanilino)-2-oxoethyl] furan-2-carboxylate
SYSTEMATIC NAME: [2-[(4-fluorophenyl)amino]-2-oxidanylidene-ethyl] furan-2-carboxylate
MOLECULAR FORMULA: C13H10FNO4
MOLECULAR WEIGHT: 263.221203
SMILES: C1=COC(=C1)C(=O)OCC(=O)NC2=CC=C(C=C2)F
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Product OPENEYE NAME: [2-(5-chloro-2-methoxy-anilino)-2-oxo-ethyl] furan-2-carboxylate
CAS Name: 2-furancarboxylic acid [2-(5-chloro-2-methoxyanilino)-2-oxoethyl] ester
IUPAC NAME: [2-(5-chloro-2-methoxyanilino)-2-oxoethyl] furan-2-carboxylate
SYSTEMATIC NAME: [2-[(5-chloranyl-2-methoxy-phenyl)amino]-2-oxidanylidene-ethyl] furan-2-carboxylate
MOLECULAR FORMULA: C14H12ClNO5
MOLECULAR WEIGHT: 309.70178
SMILES: COC1=C(C=C(C=C1)Cl)NC(=O)COC(=O)C2=CC=CO2
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Product OPENEYE NAME: [2-(2,3-dichloroanilino)-2-oxo-ethyl] furan-2-carboxylate
CAS Name: 2-furancarboxylic acid [2-(2,3-dichloroanilino)-2-oxoethyl] ester
IUPAC NAME: [2-(2,3-dichloroanilino)-2-oxoethyl] furan-2-carboxylate
SYSTEMATIC NAME: [2-[[2,3-bis(chloranyl)phenyl]amino]-2-oxidanylidene-ethyl] furan-2-carboxylate
MOLECULAR FORMULA: C13H9Cl2NO4
MOLECULAR WEIGHT: 314.12086
SMILES: C1=CC(=C(C(=C1)Cl)Cl)NC(=O)COC(=O)C2=CC=CO2
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Product OPENEYE NAME: [2-(2,4-dichloroanilino)-2-oxo-ethyl] furan-2-carboxylate
CAS Name: 2-furancarboxylic acid [2-(2,4-dichloroanilino)-2-oxoethyl] ester
IUPAC NAME: [2-(2,4-dichloroanilino)-2-oxoethyl] furan-2-carboxylate
SYSTEMATIC NAME: [2-[(2,4-dichlorophenyl)amino]-2-oxidanylidene-ethyl] furan-2-carboxylate
MOLECULAR FORMULA: C13H9Cl2NO4
MOLECULAR WEIGHT: 314.12086
SMILES: C1=COC(=C1)C(=O)OCC(=O)NC2=C(C=C(C=C2)Cl)Cl
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Product OPENEYE NAME: [2-(2,5-dichloroanilino)-2-oxo-ethyl] furan-2-carboxylate
CAS Name: 2-furancarboxylic acid [2-(2,5-dichloroanilino)-2-oxoethyl] ester
IUPAC NAME: [2-(2,5-dichloroanilino)-2-oxoethyl] furan-2-carboxylate
SYSTEMATIC NAME: [2-[[2,5-bis(chloranyl)phenyl]amino]-2-oxidanylidene-ethyl] furan-2-carboxylate
MOLECULAR FORMULA: C13H9Cl2NO4
MOLECULAR WEIGHT: 314.12086
SMILES: C1=COC(=C1)C(=O)OCC(=O)NC2=C(C=CC(=C2)Cl)Cl
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Product OPENEYE NAME: [2-(4-methoxyanilino)-2-oxo-ethyl] furan-2-carboxylate
CAS Name: 2-furancarboxylic acid [2-(4-methoxyanilino)-2-oxoethyl] ester
IUPAC NAME: [2-(4-methoxyanilino)-2-oxoethyl] furan-2-carboxylate
SYSTEMATIC NAME: [2-[(4-methoxyphenyl)amino]-2-oxidanylidene-ethyl] furan-2-carboxylate
MOLECULAR FORMULA: C14H13NO5
MOLECULAR WEIGHT: 275.25672
SMILES: COC1=CC=C(C=C1)NC(=O)COC(=O)C2=CC=CO2
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Product OPENEYE NAME: [2-(3,4-dichloroanilino)-2-oxo-ethyl] furan-2-carboxylate
CAS Name: 2-furancarboxylic acid [2-(3,4-dichloroanilino)-2-oxoethyl] ester
IUPAC NAME: [2-(3,4-dichloroanilino)-2-oxoethyl] furan-2-carboxylate
SYSTEMATIC NAME: [2-[(3,4-dichlorophenyl)amino]-2-oxidanylidene-ethyl] furan-2-carboxylate
MOLECULAR FORMULA: C13H9Cl2NO4
MOLECULAR WEIGHT: 314.12086
SMILES: C1=COC(=C1)C(=O)OCC(=O)NC2=CC(=C(C=C2)Cl)Cl
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Product OPENEYE NAME: [2-(4-cyanoanilino)-2-oxo-ethyl] furan-2-carboxylate
CAS Name: 2-furancarboxylic acid [2-(4-cyanoanilino)-2-oxoethyl] ester
IUPAC NAME: [2-(4-cyanoanilino)-2-oxoethyl] furan-2-carboxylate
SYSTEMATIC NAME: [2-[(4-cyanophenyl)amino]-2-oxidanylidene-ethyl] furan-2-carboxylate
MOLECULAR FORMULA: C14H10N2O4
MOLECULAR WEIGHT: 270.2402
SMILES: C1=COC(=C1)C(=O)OCC(=O)NC2=CC=C(C=C2)C#N
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Product OPENEYE NAME: [2-(1,3-benzodioxol-5-ylamino)-2-oxo-ethyl] furan-2-carboxylate
CAS Name: 2-furancarboxylic acid [2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] ester
IUPAC NAME: [2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] furan-2-carboxylate
SYSTEMATIC NAME: [2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl] furan-2-carboxylate
MOLECULAR FORMULA: C14H11NO6
MOLECULAR WEIGHT: 289.24024
SMILES: C1OC2=C(O1)C=C(C=C2)NC(=O)COC(=O)C3=CC=CO3
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Product OPENEYE NAME: 4-methyl-N-(7-methyl-2-oxo-1,3-benzoxathiol-5-yl)benzenesulfonamide
CAS Name: 4-methyl-N-(7-methyl-2-oxo-1,3-benzoxathiol-5-yl)benzenesulfonamide
IUPAC NAME: 4-methyl-N-(7-methyl-2-oxo-1,3-benzoxathiol-5-yl)benzenesulfonamide
SYSTEMATIC NAME: 4-methyl-N-(7-methyl-2-oxidanylidene-1,3-benzoxathiol-5-yl)benzenesulfonamide
MOLECULAR FORMULA: C15H13NO4S2
MOLECULAR WEIGHT: 335.39802
SMILES: CC1=CC=C(C=C1)S(=O)(=O)NC2=CC3=C(C(=C2)C)OC(=O)S3
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Product OPENEYE NAME: 3-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-4-(1-naphthyl)-1H-1,2,4-triazole-5-thione
CAS Name: 3-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-4-(1-naphthalenyl)-1H-1,2,4-triazole-5-thione
IUPAC NAME: 3-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-4-naphthalen-1-yl-1H-1,2,4-triazole-5-thione
SYSTEMATIC NAME: 3-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-4-naphthalen-1-yl-1H-1,2,4-triazole-5-thione
MOLECULAR FORMULA: C22H17N5OS
MOLECULAR WEIGHT: 399.46828
SMILES: COC1=CC=C(C=C1)C2=NNC(=C2)C3=NNC(=S)N3C4=CC=CC5=CC=CC=C54
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Product OPENEYE NAME: (2S)-2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)propanoic acid
CAS Name: (2S)-2-(3,5-dimethyl-4-nitro-1-pyrazolyl)propanoic acid
IUPAC NAME: (2S)-2-(3,5-dimethyl-4-nitropyrazol-1-yl)propanoic acid
SYSTEMATIC NAME: (2S)-2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)propanoic acid
MOLECULAR FORMULA: C8H11N3O4
MOLECULAR WEIGHT: 213.19064
SMILES: CC1=C(C(=NN1[C@@H](C)C(=O)O)C)[N+](=O)[O-]
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Product OPENEYE NAME: (2R)-2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)propanoic acid
CAS Name: (2R)-2-(3,5-dimethyl-4-nitro-1-pyrazolyl)propanoic acid
IUPAC NAME: (2R)-2-(3,5-dimethyl-4-nitropyrazol-1-yl)propanoic acid
SYSTEMATIC NAME: (2R)-2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)propanoic acid
MOLECULAR FORMULA: C8H11N3O4
MOLECULAR WEIGHT: 213.19064
SMILES: CC1=C(C(=NN1[C@H](C)C(=O)O)C)[N+](=O)[O-]
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Product OPENEYE NAME: N-[4-(1,3-benzothiazol-2-yl)-3-chloro-phenyl]pyridine-3-carboxamide
CAS Name: N-[4-(1,3-benzothiazol-2-yl)-3-chlorophenyl]-3-pyridinecarboxamide
IUPAC NAME: N-[4-(1,3-benzothiazol-2-yl)-3-chlorophenyl]pyridine-3-carboxamide
SYSTEMATIC NAME: N-[4-(1,3-benzothiazol-2-yl)-3-chloranyl-phenyl]pyridine-3-carboxamide
MOLECULAR FORMULA: C19H12ClN3OS
MOLECULAR WEIGHT: 365.83608
SMILES: C1=CC=C2C(=C1)N=C(S2)C3=C(C=C(C=C3)NC(=O)C4=CN=CC=C4)Cl
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Product OPENEYE NAME: N-(3-oxazolo[4,5-b]pyridin-2-ylphenyl)-1,3-benzodioxole-5-carboxamide
CAS Name: N-[3-(2-oxazolo[4,5-b]pyridinyl)phenyl]-1,3-benzodioxole-5-carboxamide
IUPAC NAME: N-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-1,3-benzodioxole-5-carboxamide
SYSTEMATIC NAME: N-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-1,3-benzodioxole-5-carboxamide
MOLECULAR FORMULA: C20H13N3O4
MOLECULAR WEIGHT: 359.33492
SMILES: C1OC2=C(O1)C=C(C=C2)C(=O)NC3=CC=CC(=C3)C4=NC5=C(O4)C=CC=N5
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Product OPENEYE NAME: N-(2-methyl-5-oxazolo[4,5-b]pyridin-2-yl-phenyl)-1,3-benzodioxole-5-carboxamide
CAS Name: N-[2-methyl-5-(2-oxazolo[4,5-b]pyridinyl)phenyl]-1,3-benzodioxole-5-carboxamide
IUPAC NAME: N-[2-methyl-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-1,3-benzodioxole-5-carboxamide
SYSTEMATIC NAME: N-[2-methyl-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-1,3-benzodioxole-5-carboxamide
MOLECULAR FORMULA: C21H15N3O4
MOLECULAR WEIGHT: 373.3615
SMILES: CC1=C(C=C(C=C1)C2=NC3=C(O2)C=CC=N3)NC(=O)C4=CC5=C(C=C4)OCO5
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Product OPENEYE NAME: N-(2-chloro-5-oxazolo[4,5-b]pyridin-2-yl-phenyl)-1,3-benzodioxole-5-carboxamide
CAS Name: N-[2-chloro-5-(2-oxazolo[4,5-b]pyridinyl)phenyl]-1,3-benzodioxole-5-carboxamide
IUPAC NAME: N-[2-chloro-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-1,3-benzodioxole-5-carboxamide
SYSTEMATIC NAME: N-[2-chloranyl-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-1,3-benzodioxole-5-carboxamide
MOLECULAR FORMULA: C20H12ClN3O4
MOLECULAR WEIGHT: 393.77998
SMILES: C1OC2=C(O1)C=C(C=C2)C(=O)NC3=C(C=CC(=C3)C4=NC5=C(O4)C=CC=N5)Cl
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Product OPENEYE NAME: N-(4-chloro-3-oxazolo[4,5-b]pyridin-2-yl-phenyl)-1,3-benzodioxole-5-carboxamide
CAS Name: N-[4-chloro-3-(2-oxazolo[4,5-b]pyridinyl)phenyl]-1,3-benzodioxole-5-carboxamide
IUPAC NAME: N-[4-chloro-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-1,3-benzodioxole-5-carboxamide
SYSTEMATIC NAME: N-[4-chloranyl-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-1,3-benzodioxole-5-carboxamide
MOLECULAR FORMULA: C20H12ClN3O4
MOLECULAR WEIGHT: 393.77998
SMILES: C1OC2=C(O1)C=C(C=C2)C(=O)NC3=CC(=C(C=C3)Cl)C4=NC5=C(O4)C=CC=N5
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Product OPENEYE NAME: N-[3-(1,3-benzothiazol-2-yl)phenyl]-1,3-benzodioxole-5-carboxamide
CAS Name: N-[3-(1,3-benzothiazol-2-yl)phenyl]-1,3-benzodioxole-5-carboxamide
IUPAC NAME: N-[3-(1,3-benzothiazol-2-yl)phenyl]-1,3-benzodioxole-5-carboxamide
SYSTEMATIC NAME: N-[3-(1,3-benzothiazol-2-yl)phenyl]-1,3-benzodioxole-5-carboxamide
MOLECULAR FORMULA: C21H14N2O3S
MOLECULAR WEIGHT: 374.41246
SMILES: C1OC2=C(O1)C=C(C=C2)C(=O)NC3=CC=CC(=C3)C4=NC5=CC=CC=C5S4
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Product OPENEYE NAME: N-[5-(1,3-benzothiazol-2-yl)-2-methyl-phenyl]-1,3-benzodioxole-5-carboxamide
CAS Name: N-[5-(1,3-benzothiazol-2-yl)-2-methylphenyl]-1,3-benzodioxole-5-carboxamide
IUPAC NAME: N-[5-(1,3-benzothiazol-2-yl)-2-methylphenyl]-1,3-benzodioxole-5-carboxamide
SYSTEMATIC NAME: N-[5-(1,3-benzothiazol-2-yl)-2-methyl-phenyl]-1,3-benzodioxole-5-carboxamide
MOLECULAR FORMULA: C22H16N2O3S
MOLECULAR WEIGHT: 388.43904
SMILES: CC1=C(C=C(C=C1)C2=NC3=CC=CC=C3S2)NC(=O)C4=CC5=C(C=C4)OCO5
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Product OPENEYE NAME: N-[3-(1,3-benzothiazol-2-yl)-2-methyl-phenyl]-1,3-benzodioxole-5-carboxamide
CAS Name: N-[3-(1,3-benzothiazol-2-yl)-2-methylphenyl]-1,3-benzodioxole-5-carboxamide
IUPAC NAME: N-[3-(1,3-benzothiazol-2-yl)-2-methylphenyl]-1,3-benzodioxole-5-carboxamide
SYSTEMATIC NAME: N-[3-(1,3-benzothiazol-2-yl)-2-methyl-phenyl]-1,3-benzodioxole-5-carboxamide
MOLECULAR FORMULA: C22H16N2O3S
MOLECULAR WEIGHT: 388.43904
SMILES: CC1=C(C=CC=C1NC(=O)C2=CC3=C(C=C2)OCO3)C4=NC5=CC=CC=C5S4
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Product OPENEYE NAME: N-[5-(1,3-benzothiazol-2-yl)-2-methoxy-phenyl]-1,3-benzodioxole-5-carboxamide
CAS Name: N-[5-(1,3-benzothiazol-2-yl)-2-methoxyphenyl]-1,3-benzodioxole-5-carboxamide
IUPAC NAME: N-[5-(1,3-benzothiazol-2-yl)-2-methoxyphenyl]-1,3-benzodioxole-5-carboxamide
SYSTEMATIC NAME: N-[5-(1,3-benzothiazol-2-yl)-2-methoxy-phenyl]-1,3-benzodioxole-5-carboxamide
MOLECULAR FORMULA: C22H16N2O4S
MOLECULAR WEIGHT: 404.43844
SMILES: COC1=C(C=C(C=C1)C2=NC3=CC=CC=C3S2)NC(=O)C4=CC5=C(C=C4)OCO5
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