Product OPENEYE NAME: (Z)-2-(1H-benzimidazol-2-yl)-3-(hydroxyamino)prop-2-enenitrile
CAS Name: (Z)-2-(1H-benzimidazol-2-yl)-3-(hydroxyamino)-2-propenenitrile
IUPAC NAME: (Z)-2-(1H-benzimidazol-2-yl)-3-(hydroxyamino)prop-2-enenitrile
SYSTEMATIC NAME: (Z)-2-(1H-benzimidazol-2-yl)-3-(oxidanylamino)prop-2-enenitrile
MOLECULAR FORMULA: C10H8N4O
MOLECULAR WEIGHT: 200.19672
SMILES: C1=CC=C2C(=C1)NC(=N2)/C(=C\NO)/C#N
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Product OPENEYE NAME: 5-methoxycarbonylpiperidine-2-carboxylic acid
CAS Name: 5-methoxycarbonyl-2-piperidinecarboxylic acid
IUPAC NAME: 5-methoxycarbonylpiperidine-2-carboxylic acid
SYSTEMATIC NAME: 5-methoxycarbonylpiperidine-2-carboxylic acid
MOLECULAR FORMULA: C8H13NO4
MOLECULAR WEIGHT: 187.19312
SMILES: COC(=O)C1CCC(NC1)C(=O)O
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Product OPENEYE NAME: (2R,5R)-5-methoxycarbonylpiperidine-2-carboxylic acid
CAS Name: (2R,5R)-5-methoxycarbonyl-2-piperidinecarboxylic acid
IUPAC NAME: (2R,5R)-5-methoxycarbonylpiperidine-2-carboxylic acid
SYSTEMATIC NAME: (2R,5R)-5-methoxycarbonylpiperidine-2-carboxylic acid
MOLECULAR FORMULA: C8H13NO4
MOLECULAR WEIGHT: 187.19312
SMILES: COC(=O)[C@@H]1CC[C@@H](NC1)C(=O)O
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Product OPENEYE NAME: dimethyl (2R,5S)-1-[2-(1,3-dioxoisoindolin-2-yl)ethyl]piperidine-2,5-dicarboxylate
CAS Name: (2R,5S)-1-[2-(1,3-dioxo-2-isoindolyl)ethyl]piperidine-2,5-dicarboxylic acid dimethyl ester
IUPAC NAME: dimethyl (2R,5S)-1-[2-(1,3-dioxoisoindol-2-yl)ethyl]piperidine-2,5-dicarboxylate
SYSTEMATIC NAME: dimethyl (2R,5S)-1-[2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethyl]piperidine-2,5-dicarboxylate
MOLECULAR FORMULA: C19H22N2O6
MOLECULAR WEIGHT: 374.38778
SMILES: COC(=O)[C@H]1CC[C@@H](N(C1)CCN2C(=O)C3=CC=CC=C3C2=O)C(=O)OC
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Product OPENEYE NAME: [(2R,3R,4R,5R)-3,4-diacetoxy-5-(2-amino-6-azido-purin-9-yl)tetrahydrofuran-2-yl]methyl acetate
CAS Name: acetic acid [(2R,3R,4R,5R)-3,4-diacetyloxy-5-(2-amino-6-azido-9-purinyl)-2-oxolanyl]methyl ester
IUPAC NAME: [(2R,3R,4R,5R)-3,4-diacetyloxy-5-(2-amino-6-azidopurin-9-yl)oxolan-2-yl]methyl acetate
SYSTEMATIC NAME: [(2R,3R,4R,5R)-3,4-diacetyloxy-5-(2-azanyl-6-azido-purin-9-yl)oxolan-2-yl]methyl ethanoate
MOLECULAR FORMULA: C16H18N8O7
MOLECULAR WEIGHT: 434.36352
SMILES: CC(=O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=C(N=C32)N)N=[N+]=[N-])OC(=O)C)OC(=O)C
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Product OPENEYE NAME: [(2R,3R,4R,5R)-3,4-diacetoxy-5-(2,6-diaminopurin-9-yl)tetrahydrofuran-2-yl]methyl acetate
CAS Name: acetic acid [(2R,3R,4R,5R)-3,4-diacetyloxy-5-(2,6-diamino-9-purinyl)-2-oxolanyl]methyl ester
IUPAC NAME: [(2R,3R,4R,5R)-3,4-diacetyloxy-5-(2,6-diaminopurin-9-yl)oxolan-2-yl]methyl acetate
SYSTEMATIC NAME: [(2R,3R,4R,5R)-3,4-diacetyloxy-5-[2,6-bis(azanyl)purin-9-yl]oxolan-2-yl]methyl ethanoate
MOLECULAR FORMULA: C16H20N6O7
MOLECULAR WEIGHT: 408.366
SMILES: CC(=O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C2N=C(N=C3N)N)OC(=O)C)OC(=O)C
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Product OPENEYE NAME: N-[3-[1-hydroxy-1-(4-methoxyphenyl)ethyl]-2-pyridyl]-2,2-dimethyl-propanamide
CAS Name: N-[3-[1-hydroxy-1-(4-methoxyphenyl)ethyl]-2-pyridinyl]-2,2-dimethylpropanamide
IUPAC NAME: N-[3-[1-hydroxy-1-(4-methoxyphenyl)ethyl]pyridin-2-yl]-2,2-dimethylpropanamide
SYSTEMATIC NAME: N-[3-[1-(4-methoxyphenyl)-1-oxidanyl-ethyl]pyridin-2-yl]-2,2-dimethyl-propanamide
MOLECULAR FORMULA: C19H24N2O3
MOLECULAR WEIGHT: 328.40546
SMILES: CC(C)(C)C(=O)NC1=C(C=CC=N1)C(C)(C2=CC=C(C=C2)OC)O
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Product OPENEYE NAME: N-[3-[1-(4-methoxyphenyl)vinyl]-2-pyridyl]-2,2-dimethyl-propanamide
CAS Name: N-[3-[1-(4-methoxyphenyl)ethenyl]-2-pyridinyl]-2,2-dimethylpropanamide
IUPAC NAME: N-[3-[1-(4-methoxyphenyl)ethenyl]pyridin-2-yl]-2,2-dimethylpropanamide
SYSTEMATIC NAME: N-[3-[1-(4-methoxyphenyl)ethenyl]pyridin-2-yl]-2,2-dimethyl-propanamide
MOLECULAR FORMULA: C19H22N2O2
MOLECULAR WEIGHT: 310.39018
SMILES: CC(C)(C)C(=O)NC1=C(C=CC=N1)C(=C)C2=CC=C(C=C2)OC
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Product OPENEYE NAME: N-[(Z)-1-(4-bromophenyl)-2-(trifluoromethylsulfonyl)vinyl]-2,2-diethoxy-ethanamine
CAS Name: N-[(Z)-1-(4-bromophenyl)-2-(trifluoromethylsulfonyl)ethenyl]-2,2-diethoxyethanamine
IUPAC NAME: N-[(Z)-1-(4-bromophenyl)-2-(trifluoromethylsulfonyl)ethenyl]-2,2-diethoxyethanamine
SYSTEMATIC NAME: N-[(Z)-1-(4-bromophenyl)-2-(trifluoromethylsulfonyl)ethenyl]-2,2-diethoxy-ethanamine
MOLECULAR FORMULA: C15H19BrF3NO4S
MOLECULAR WEIGHT: 446.27987
SMILES: CCOC(CN/C(=C\S(=O)(=O)C(F)(F)F)/C1=CC=C(C=C1)Br)OCC
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Product OPENEYE NAME: N-[(Z)-1-(4-tert-butylphenyl)-2-(trifluoromethylsulfonyl)vinyl]-2,2-diethoxy-ethanamine
CAS Name: N-[(Z)-1-(4-tert-butylphenyl)-2-(trifluoromethylsulfonyl)ethenyl]-2,2-diethoxyethanamine
IUPAC NAME: N-[(Z)-1-(4-tert-butylphenyl)-2-(trifluoromethylsulfonyl)ethenyl]-2,2-diethoxyethanamine
SYSTEMATIC NAME: N-[(Z)-1-(4-tert-butylphenyl)-2-(trifluoromethylsulfonyl)ethenyl]-2,2-diethoxy-ethanamine
MOLECULAR FORMULA: C19H28F3NO4S
MOLECULAR WEIGHT: 423.49013
SMILES: CCOC(CN/C(=C\S(=O)(=O)C(F)(F)F)/C1=CC=C(C=C1)C(C)(C)C)OCC
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Product OPENEYE NAME: 2,2-diethoxy-N-[(Z)-1-(p-tolyl)-2-(trifluoromethylsulfonyl)vinyl]ethanamine
CAS Name: 2,2-diethoxy-N-[(Z)-1-(4-methylphenyl)-2-(trifluoromethylsulfonyl)ethenyl]ethanamine
IUPAC NAME: 2,2-diethoxy-N-[(Z)-1-(4-methylphenyl)-2-(trifluoromethylsulfonyl)ethenyl]ethanamine
SYSTEMATIC NAME: 2,2-diethoxy-N-[(Z)-1-(4-methylphenyl)-2-(trifluoromethylsulfonyl)ethenyl]ethanamine
MOLECULAR FORMULA: C16H22F3NO4S
MOLECULAR WEIGHT: 381.41039
SMILES: CCOC(CN/C(=C\S(=O)(=O)C(F)(F)F)/C1=CC=C(C=C1)C)OCC
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Product OPENEYE NAME: 4-vinylindolin-2-one
CAS Name: 4-ethenyl-1,3-dihydroindol-2-one
IUPAC NAME: 4-ethenyl-1,3-dihydroindol-2-one
SYSTEMATIC NAME: 4-ethenyl-1,3-dihydroindol-2-one
MOLECULAR FORMULA: C10H9NO
MOLECULAR WEIGHT: 159.18456
SMILES: C=CC1=C2CC(=O)NC2=CC=C1
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Product OPENEYE NAME: 2-benzyl-1H-1,2,4-triazol-5-one
CAS Name: 2-(phenylmethyl)-1H-1,2,4-triazol-5-one
IUPAC NAME: 2-benzyl-1H-1,2,4-triazol-5-one
SYSTEMATIC NAME: 2-(phenylmethyl)-1H-1,2,4-triazol-5-one
MOLECULAR FORMULA: C9H9N3O
MOLECULAR WEIGHT: 175.18726
SMILES: C1=CC=C(C=C1)CN2C=NC(=O)N2
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Product OPENEYE NAME: (Z)-1-(4-chlorophenyl)-3-(1-tritylimidazol-2-yl)prop-2-en-1-ol
CAS Name: (Z)-1-(4-chlorophenyl)-3-[1-(triphenylmethyl)-2-imidazolyl]-2-propen-1-ol
IUPAC NAME: (Z)-1-(4-chlorophenyl)-3-(1-tritylimidazol-2-yl)prop-2-en-1-ol
SYSTEMATIC NAME: (Z)-1-(4-chlorophenyl)-3-[1-(triphenylmethyl)imidazol-2-yl]prop-2-en-1-ol
MOLECULAR FORMULA: C31H25ClN2O
MOLECULAR WEIGHT: 476.996
SMILES: C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)N4C=CN=C4/C=C\C(C5=CC=C(C=C5)Cl)O
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Product OPENEYE NAME: (Z)-1-(2,4-dichlorophenyl)-3-(1-tritylimidazol-2-yl)prop-2-en-1-ol
CAS Name: (Z)-1-(2,4-dichlorophenyl)-3-[1-(triphenylmethyl)-2-imidazolyl]-2-propen-1-ol
IUPAC NAME: (Z)-1-(2,4-dichlorophenyl)-3-(1-tritylimidazol-2-yl)prop-2-en-1-ol
SYSTEMATIC NAME: (Z)-1-(2,4-dichlorophenyl)-3-[1-(triphenylmethyl)imidazol-2-yl]prop-2-en-1-ol
MOLECULAR FORMULA: C31H24Cl2N2O
MOLECULAR WEIGHT: 511.44106
SMILES: C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)N4C=CN=C4/C=C\C(C5=C(C=C(C=C5)Cl)Cl)O
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Product OPENEYE NAME: (Z)-1-(4-chlorophenyl)-3-(1-tritylimidazol-2-yl)prop-2-en-1-one
CAS Name: (Z)-1-(4-chlorophenyl)-3-[1-(triphenylmethyl)-2-imidazolyl]-2-propen-1-one
IUPAC NAME: (Z)-1-(4-chlorophenyl)-3-(1-tritylimidazol-2-yl)prop-2-en-1-one
SYSTEMATIC NAME: (Z)-1-(4-chlorophenyl)-3-[1-(triphenylmethyl)imidazol-2-yl]prop-2-en-1-one
MOLECULAR FORMULA: C31H23ClN2O
MOLECULAR WEIGHT: 474.98012
SMILES: C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)N4C=CN=C4/C=C\C(=O)C5=CC=C(C=C5)Cl
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Product OPENEYE NAME: (Z)-1-(2,4-dichlorophenyl)-3-(1-tritylimidazol-2-yl)prop-2-en-1-one
CAS Name: (Z)-1-(2,4-dichlorophenyl)-3-[1-(triphenylmethyl)-2-imidazolyl]-2-propen-1-one
IUPAC NAME: (Z)-1-(2,4-dichlorophenyl)-3-(1-tritylimidazol-2-yl)prop-2-en-1-one
SYSTEMATIC NAME: (Z)-1-(2,4-dichlorophenyl)-3-[1-(triphenylmethyl)imidazol-2-yl]prop-2-en-1-one
MOLECULAR FORMULA: C31H22Cl2N2O
MOLECULAR WEIGHT: 509.42518
SMILES: C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)N4C=CN=C4/C=C\C(=O)C5=C(C=C(C=C5)Cl)Cl
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Product OPENEYE NAME: 2-methyl-7-nitro-1,3-dioxo-isoindolin-4-olate
CAS Name: 2-methyl-7-nitro-1,3-dioxo-4-isoindololate
IUPAC NAME: 2-methyl-7-nitro-1,3-dioxoisoindol-4-olate
SYSTEMATIC NAME: 2-methyl-7-nitro-1,3-bis(oxidanylidene)isoindol-4-olate
MOLECULAR FORMULA: C9H5N2O5-
MOLECULAR WEIGHT: 221.1464
SMILES: CN1C(=O)C2=C(C=CC(=C2C1=O)[O-])[N+](=O)[O-]
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Product OPENEYE NAME: 2-methyl-6-nitro-1,3-dioxo-isoindolin-5-olate
CAS Name: 2-methyl-6-nitro-1,3-dioxo-5-isoindololate
IUPAC NAME: 2-methyl-6-nitro-1,3-dioxoisoindol-5-olate
SYSTEMATIC NAME: 2-methyl-6-nitro-1,3-bis(oxidanylidene)isoindol-5-olate
MOLECULAR FORMULA: C9H5N2O5-
MOLECULAR WEIGHT: 221.1464
SMILES: CN1C(=O)C2=CC(=C(C=C2C1=O)[O-])[N+](=O)[O-]
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Product OPENEYE NAME: 6-amino-7-methoxy-2,3-dihydrophthalazine-1,4-dione
CAS Name: 6-amino-7-methoxy-2,3-dihydrophthalazine-1,4-dione
IUPAC NAME: 6-amino-7-methoxy-2,3-dihydrophthalazine-1,4-dione
SYSTEMATIC NAME: 6-azanyl-7-methoxy-2,3-dihydrophthalazine-1,4-dione
MOLECULAR FORMULA: C9H9N3O3
MOLECULAR WEIGHT: 207.18606
SMILES: COC1=C(C=C2C(=C1)C(=O)NNC2=O)N
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Product OPENEYE NAME: 3-methoxy-6-nitro-benzene-1,2-dicarbohydrazide
CAS Name: 3-methoxy-6-nitrobenzene-1,2-dicarbohydrazide
IUPAC NAME: 3-methoxy-6-nitrobenzene-1,2-dicarbohydrazide
SYSTEMATIC NAME: 3-methoxy-6-nitro-benzene-1,2-dicarbohydrazide
MOLECULAR FORMULA: C9H11N5O5
MOLECULAR WEIGHT: 269.21414
SMILES: COC1=C(C(=C(C=C1)[N+](=O)[O-])C(=O)NN)C(=O)NN
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Product OPENEYE NAME: 3-ethoxy-6-nitro-benzene-1,2-dicarbohydrazide
CAS Name: 3-ethoxy-6-nitrobenzene-1,2-dicarbohydrazide
IUPAC NAME: 3-ethoxy-6-nitrobenzene-1,2-dicarbohydrazide
SYSTEMATIC NAME: 3-ethoxy-6-nitro-benzene-1,2-dicarbohydrazide
MOLECULAR FORMULA: C10H13N5O5
MOLECULAR WEIGHT: 283.24072
SMILES: CCOC1=C(C(=C(C=C1)[N+](=O)[O-])C(=O)NN)C(=O)NN
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Product OPENEYE NAME: 2-[4,6-bis(trifluoromethyl)pyrimidin-2-yl]-1-(2,5-dimethoxyphenyl)guanidine
CAS Name: 2-[4,6-bis(trifluoromethyl)-2-pyrimidinyl]-1-(2,5-dimethoxyphenyl)guanidine
IUPAC NAME: 2-[4,6-bis(trifluoromethyl)pyrimidin-2-yl]-1-(2,5-dimethoxyphenyl)guanidine
SYSTEMATIC NAME: 2-[4,6-bis(trifluoromethyl)pyrimidin-2-yl]-1-(2,5-dimethoxyphenyl)guanidine
MOLECULAR FORMULA: C15H13F6N5O2
MOLECULAR WEIGHT: 409.286439
SMILES: COC1=CC(=C(C=C1)OC)N/C(=N/C2=NC(=CC(=N2)C(F)(F)F)C(F)(F)F)/N
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Product OPENEYE NAME: (5E)-5-[(4-chlorophenyl)methylene]-2,2-dimethyl-1-(1,2,4-triazol-1-ylmethyl)cyclopentanol; methyl N-[2-[[1-(4-chlorophenyl)pyrazol-3-yl]oxymethyl]phenyl]-N-methoxy-carbamate; methyl (2S)-2-(2,6-dimethyl-N-(2-phenylacetyl)anilino)propanoate
CAS Name: (5E)-5-[(4-chlorophenyl)methylidene]-2,2-dimethyl-1-(1,2,4-triazol-1-ylmethyl)-1-cyclopentanol; N-[2-[[1-(4-chlorophenyl)-3-pyrazolyl]oxymethyl]phenyl]-N-methoxycarbamic acid methyl ester; (2S)-2-(2,6-dimethyl-N-(1-oxo-2-phenylethyl)anilino)propanoic acid
IUPAC NAME: (5E)-5-[(4-chlorophenyl)methylidene]-2,2-dimethyl-1-(1,2,4-triazol-1-ylmethyl)cyclopentan-1-ol; methyl N-[2-[[1-(4-chlorophenyl)pyrazol-3-yl]oxymethyl]phenyl]-N-methoxycarbamate; methyl (2S)-2-(2,6-dimethyl-N-(2-phenylacetyl)anilino)propanoate
SYSTEMATIC NAME: (5E)-5-[(4-chlorophenyl)methylidene]-2,2-dimethyl-1-(1,2,4-triazol-1-ylmethyl)cyclopentan-1-ol; methyl N-[2-[[1-(4-chlorophenyl)pyrazol-3-yl]oxymethyl]phenyl]-N-methoxy-carbamate; methyl (2S)-2-[(2,6-dimethylphenyl)-(2-phenylethanoyl)amino]propanoate
MOLECULAR FORMULA: C56H61Cl2N7O8
MOLECULAR WEIGHT: 1031.03164
SMILES: CC1=C(C(=CC=C1)C)N([C@@H](C)C(=O)OC)C(=O)CC2=CC=CC=C2.CC1(CC/C(=C\C2=CC=C(C=C2)Cl)/C1(CN3C=NC=N3)O)C.COC(=O)N(C1=CC=CC=C1COC2=NN(C=C2)C3=CC=C(C=C3)Cl)OC
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