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MOLECULAR FORMULA: C12H15ClN2OS
MOLECULAR WEIGHT: 270.7783
SMILES: CC1=C(SC2=C1CN3CCCCC3C(=O)N2)Cl
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Product OPENEYE NAME: N-[(E)-(4-bromophenyl)methyleneamino]methanamine
CAS Name: N-[(E)-(4-bromophenyl)methylideneamino]methanamine
IUPAC NAME: N-[(E)-(4-bromophenyl)methylideneamino]methanamine
SYSTEMATIC NAME: N-[(E)-(4-bromophenyl)methylideneamino]methanamine
MOLECULAR FORMULA: C8H9BrN2
MOLECULAR WEIGHT: 213.07446
SMILES: CN/N=C/C1=CC=C(C=C1)Br
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Product OPENEYE NAME: N'-anilino-N-[(E)-(4-bromophenyl)methyleneamino]-N-methyl-benzamidine
CAS Name: N'-anilino-N-[(E)-(4-bromophenyl)methylideneamino]-N-methylbenzenecarboximidamide
IUPAC NAME: N'-anilino-N-[(E)-(4-bromophenyl)methylideneamino]-N-methylbenzenecarboximidamide
SYSTEMATIC NAME: N-[(E)-(4-bromophenyl)methylideneamino]-N-methyl-N'-phenylazanyl-benzenecarboximidamide
MOLECULAR FORMULA: C21H19BrN4
MOLECULAR WEIGHT: 407.30636
SMILES: CN(/C(=N\NC1=CC=CC=C1)/C2=CC=CC=C2)/N=C/C3=CC=C(C=C3)Br
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Product OPENEYE NAME: 1-[6-(4-bromophenyl)-2-methyl-5-phenyl-1,6-dihydro-1,2,4,5-tetrazin-3-yl]ethanone
CAS Name: 1-[6-(4-bromophenyl)-2-methyl-5-phenyl-1,6-dihydro-1,2,4,5-tetrazin-3-yl]ethanone
IUPAC NAME: 1-[6-(4-bromophenyl)-2-methyl-5-phenyl-1,6-dihydro-1,2,4,5-tetrazin-3-yl]ethanone
SYSTEMATIC NAME: 1-[6-(4-bromophenyl)-2-methyl-5-phenyl-1,6-dihydro-1,2,4,5-tetrazin-3-yl]ethanone
MOLECULAR FORMULA: C17H17BrN4O
MOLECULAR WEIGHT: 373.24708
SMILES: CC(=O)C1=NN(C(NN1C)C2=CC=C(C=C2)Br)C3=CC=CC=C3
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Product OPENEYE NAME: N'-anilino-N-[(E)-(4-bromophenyl)methyleneamino]-N-methyl-2-oxo-propanamidine
CAS Name: N'-anilino-N-[(E)-(4-bromophenyl)methylideneamino]-N-methyl-2-oxopropanimidamide
IUPAC NAME: N'-anilino-N-[(E)-(4-bromophenyl)methylideneamino]-N-methyl-2-oxopropanimidamide
SYSTEMATIC NAME: N-[(E)-(4-bromophenyl)methylideneamino]-N-methyl-2-oxidanylidene-N'-phenylazanyl-propanimidamide
MOLECULAR FORMULA: C17H17BrN4O
MOLECULAR WEIGHT: 373.24708
SMILES: CC(=O)/C(=N/NC1=CC=CC=C1)/N(C)/N=C/C2=CC=C(C=C2)Br
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Product OPENEYE NAME: [(5E)-5-(3-oxoquinoxalin-2-ylidene)-2-phenyl-1H-pyrazol-3-yl]methyl acetate
CAS Name: acetic acid [(5E)-5-(3-oxo-2-quinoxalinylidene)-2-phenyl-1H-pyrazol-3-yl]methyl ester
IUPAC NAME: [(5E)-5-(3-oxoquinoxalin-2-ylidene)-2-phenyl-1H-pyrazol-3-yl]methyl acetate
SYSTEMATIC NAME: [(5E)-5-(3-oxidanylidenequinoxalin-2-ylidene)-2-phenyl-1H-pyrazol-3-yl]methyl ethanoate
MOLECULAR FORMULA: C20H16N4O3
MOLECULAR WEIGHT: 360.36604
SMILES: CC(=O)OCC1=C/C(=C\2/C(=O)N=C3C=CC=CC3=N2)/NN1C4=CC=CC=C4
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Product OPENEYE NAME: [5-(3-chloroquinoxalin-2-yl)-2-phenyl-pyrazol-3-yl]methyl acetate
CAS Name: acetic acid [5-(3-chloro-2-quinoxalinyl)-2-phenyl-3-pyrazolyl]methyl ester
IUPAC NAME: [5-(3-chloroquinoxalin-2-yl)-2-phenylpyrazol-3-yl]methyl acetate
SYSTEMATIC NAME: [5-(3-chloranylquinoxalin-2-yl)-2-phenyl-pyrazol-3-yl]methyl ethanoate
MOLECULAR FORMULA: C20H15ClN4O2
MOLECULAR WEIGHT: 378.8117
SMILES: CC(=O)OCC1=CC(=NN1C2=CC=CC=C2)C3=NC4=CC=CC=C4N=C3Cl
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Product OPENEYE NAME:
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IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C18H10N2S2
MOLECULAR WEIGHT: 318.4154
SMILES: C1=CC=C2C(=C1)C=NC3=C2SC4=C(S3)C5=CC=CC=C5N=C4
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Product OPENEYE NAME: 6-fluoroisochromane-1,3-dione
CAS Name: 6-fluoro-3,4-dihydro-1H-2-benzopyran-1,3-dione
IUPAC NAME: 6-fluoro-4H-isochromene-1,3-dione
SYSTEMATIC NAME: 6-fluoranyl-4H-isochromene-1,3-dione
MOLECULAR FORMULA: C9H5FO3
MOLECULAR WEIGHT: 180.132603
SMILES: C1C2=C(C=CC(=C2)F)C(=O)OC1=O
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Product OPENEYE NAME: 6-chloroisochromane-1,3-dione
CAS Name: 6-chloro-3,4-dihydro-1H-2-benzopyran-1,3-dione
IUPAC NAME: 6-chloro-4H-isochromene-1,3-dione
SYSTEMATIC NAME: 6-chloranyl-4H-isochromene-1,3-dione
MOLECULAR FORMULA: C9H5ClO3
MOLECULAR WEIGHT: 196.5872
SMILES: C1C2=C(C=CC(=C2)Cl)C(=O)OC1=O
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Product OPENEYE NAME: 6-bromoisochromane-1,3-dione
CAS Name: 6-bromo-3,4-dihydro-1H-2-benzopyran-1,3-dione
IUPAC NAME: 6-bromo-4H-isochromene-1,3-dione
SYSTEMATIC NAME: 6-bromanyl-4H-isochromene-1,3-dione
MOLECULAR FORMULA: C9H5BrO3
MOLECULAR WEIGHT: 241.0382
SMILES: C1C2=C(C=CC(=C2)Br)C(=O)OC1=O
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Product OPENEYE NAME: 3,4-dihydro-2H-pyrano[2,3-b]quinoline
CAS Name: 3,4-dihydro-2H-pyrano[2,3-b]quinoline
IUPAC NAME: 3,4-dihydro-2H-pyrano[2,3-b]quinoline
SYSTEMATIC NAME: 3,4-dihydro-2H-pyrano[2,3-b]quinoline
MOLECULAR FORMULA: C12H11NO
MOLECULAR WEIGHT: 185.22184
SMILES: C1CC2=CC3=CC=CC=C3N=C2OC1
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Product OPENEYE NAME: methyl 5-acetoxy-4-nitro-pentanoate
CAS Name: 5-acetyloxy-4-nitropentanoic acid methyl ester
IUPAC NAME: methyl 5-acetyloxy-4-nitropentanoate
SYSTEMATIC NAME: methyl 5-acetyloxy-4-nitro-pentanoate
MOLECULAR FORMULA: C8H13NO6
MOLECULAR WEIGHT: 219.19192
SMILES: CC(=O)OCC(CCC(=O)OC)[N+](=O)[O-]
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Product OPENEYE NAME: (4Z)-4-(dimethylaminomethylene)-2-(4-nitrophenyl)sulfanyl-oxazol-5-one
CAS Name: (4Z)-4-(dimethylaminomethylidene)-2-[(4-nitrophenyl)thio]-5-oxazolone
IUPAC NAME: (4Z)-4-(dimethylaminomethylidene)-2-(4-nitrophenyl)sulfanyl-1,3-oxazol-5-one
SYSTEMATIC NAME: (4Z)-4-(dimethylaminomethylidene)-2-(4-nitrophenyl)sulfanyl-1,3-oxazol-5-one
MOLECULAR FORMULA: C12H11N3O4S
MOLECULAR WEIGHT: 293.29844
SMILES: CN(C)/C=C\1/C(=O)OC(=N1)SC2=CC=C(C=C2)[N+](=O)[O-]
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Product OPENEYE NAME: ethyl 3-amino-1,2,4-triazole-4-carboxylate
CAS Name: 3-amino-1,2,4-triazole-4-carboxylic acid ethyl ester
IUPAC NAME: ethyl 3-amino-1,2,4-triazole-4-carboxylate
SYSTEMATIC NAME: ethyl 3-azanyl-1,2,4-triazole-4-carboxylate
MOLECULAR FORMULA: C5H8N4O2
MOLECULAR WEIGHT: 156.14262
SMILES: CCOC(=O)N1C=NN=C1N
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Product OPENEYE NAME: [(2R,3R,4R,5S)-3-benzoyloxy-5-[2,4-dioxo-5-(trifluoromethyl)pyrimidin-1-yl]-4-methoxy-tetrahydrofuran-2-yl]methyl benzoate
CAS Name: benzoic acid [(2R,3R,4R,5S)-3-benzoyloxy-5-[2,4-dioxo-5-(trifluoromethyl)-1-pyrimidinyl]-4-methoxy-2-oxolanyl]methyl ester
IUPAC NAME: [(2R,3R,4R,5S)-3-benzoyloxy-5-[2,4-dioxo-5-(trifluoromethyl)pyrimidin-1-yl]-4-methoxyoxolan-2-yl]methyl benzoate
SYSTEMATIC NAME: [(2R,3R,4R,5S)-5-[2,4-bis(oxidanylidene)-5-(trifluoromethyl)pyrimidin-1-yl]-4-methoxy-3-(phenylcarbonyloxy)oxolan-2-yl]methyl benzoate
MOLECULAR FORMULA: C25H21F3N2O8
MOLECULAR WEIGHT: 534.43805
SMILES: CO[C@@H]1[C@@H]([C@H](O[C@@H]1N2C=C(C(=O)NC2=O)C(F)(F)F)COC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4
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Product OPENEYE NAME: [(2R,3R,4R,5R)-3-benzoyloxy-5-(2,4-dioxopyrimidin-1-yl)-4-methoxy-tetrahydrofuran-2-yl]methyl benzoate
CAS Name: benzoic acid [(2R,3R,4R,5R)-3-benzoyloxy-5-(2,4-dioxo-1-pyrimidinyl)-4-methoxy-2-oxolanyl]methyl ester
IUPAC NAME: [(2R,3R,4R,5R)-3-benzoyloxy-5-(2,4-dioxopyrimidin-1-yl)-4-methoxyoxolan-2-yl]methyl benzoate
SYSTEMATIC NAME: [(2R,3R,4R,5R)-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-4-methoxy-3-(phenylcarbonyloxy)oxolan-2-yl]methyl benzoate
MOLECULAR FORMULA: C24H22N2O8
MOLECULAR WEIGHT: 466.44008
SMILES: CO[C@@H]1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4
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Product OPENEYE NAME: [(2R,3R,4R,5S)-3-benzoyloxy-5-(2,4-dioxopyrimidin-1-yl)-4-methoxy-tetrahydrofuran-2-yl]methyl benzoate
CAS Name: benzoic acid [(2R,3R,4R,5S)-3-benzoyloxy-5-(2,4-dioxo-1-pyrimidinyl)-4-methoxy-2-oxolanyl]methyl ester
IUPAC NAME: [(2R,3R,4R,5S)-3-benzoyloxy-5-(2,4-dioxopyrimidin-1-yl)-4-methoxyoxolan-2-yl]methyl benzoate
SYSTEMATIC NAME: [(2R,3R,4R,5S)-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-4-methoxy-3-(phenylcarbonyloxy)oxolan-2-yl]methyl benzoate
MOLECULAR FORMULA: C24H22N2O8
MOLECULAR WEIGHT: 466.44008
SMILES: CO[C@@H]1[C@@H]([C@H](O[C@@H]1N2C=CC(=O)NC2=O)COC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4
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Product OPENEYE NAME: [(2R,3R,4R,5S)-3-benzoyloxy-4-methoxy-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methyl benzoate
CAS Name: benzoic acid [(2R,3R,4R,5S)-3-benzoyloxy-4-methoxy-5-(5-methyl-2,4-dioxo-1-pyrimidinyl)-2-oxolanyl]methyl ester
IUPAC NAME: [(2R,3R,4R,5S)-3-benzoyloxy-4-methoxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl benzoate
SYSTEMATIC NAME: [(2R,3R,4R,5S)-4-methoxy-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-(phenylcarbonyloxy)oxolan-2-yl]methyl benzoate
MOLECULAR FORMULA: C25H24N2O8
MOLECULAR WEIGHT: 480.46666
SMILES: CC1=CN(C(=O)NC1=O)[C@@H]2[C@@H]([C@@H]([C@H](O2)COC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)OC
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