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IUPAC NAME:
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MOLECULAR FORMULA: C43H52N4O7
MOLECULAR WEIGHT: 736.89558
SMILES: CCC1=C[C@H]2C[C@@](C3=C(CN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C)(C(=O)OC)O)O)CC)OC)C(=O)OC
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Product OPENEYE NAME: 1-[(E)-benzylideneamino]-3-(3-chlorophenyl)-1-methyl-urea
CAS Name: 3-(3-chlorophenyl)-1-methyl-1-[(E)-(phenylmethylene)amino]urea
IUPAC NAME: 1-[(E)-benzylideneamino]-3-(3-chlorophenyl)-1-methylurea
SYSTEMATIC NAME: 3-(3-chlorophenyl)-1-methyl-1-[(E)-(phenylmethylidene)amino]urea
MOLECULAR FORMULA: C15H14ClN3O
MOLECULAR WEIGHT: 287.74416
SMILES: CN(C(=O)NC1=CC(=CC=C1)Cl)/N=C/C2=CC=CC=C2
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Product OPENEYE NAME: tert-butyl (Z)-3-(cyanomethylamino)but-2-enoate
CAS Name: (Z)-3-(cyanomethylamino)-2-butenoic acid tert-butyl ester
IUPAC NAME: tert-butyl (Z)-3-(cyanomethylamino)but-2-enoate
SYSTEMATIC NAME: tert-butyl (Z)-3-(cyanomethylamino)but-2-enoate
MOLECULAR FORMULA: C10H16N2O2
MOLECULAR WEIGHT: 196.24624
SMILES: C/C(=C/C(=O)OC(C)(C)C)/NCC#N
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Product OPENEYE NAME: 1-(dibromomethyl)-4-methyl-2,3-benzoxazin-1-ol
CAS Name: 1-(dibromomethyl)-4-methyl-2,3-benzoxazin-1-ol
IUPAC NAME: 1-(dibromomethyl)-4-methyl-2,3-benzoxazin-1-ol
SYSTEMATIC NAME: 1-[bis(bromanyl)methyl]-4-methyl-2,3-benzoxazin-1-ol
MOLECULAR FORMULA: C10H9Br2NO2
MOLECULAR WEIGHT: 334.99196
SMILES: CC1=NOC(C2=CC=CC=C12)(C(Br)Br)O
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Product OPENEYE NAME: ethyl 1-bromo-4-(dimethylamino)pyrrolo[1,2-a]quinoxaline-2-carboxylate
CAS Name: 1-bromo-4-(dimethylamino)-2-pyrrolo[1,2-a]quinoxalinecarboxylic acid ethyl ester
IUPAC NAME: ethyl 1-bromo-4-(dimethylamino)pyrrolo[1,2-a]quinoxaline-2-carboxylate
SYSTEMATIC NAME: ethyl 1-bromanyl-4-(dimethylamino)pyrrolo[1,2-a]quinoxaline-2-carboxylate
MOLECULAR FORMULA: C16H16BrN3O2
MOLECULAR WEIGHT: 362.22114
SMILES: CCOC(=O)C1=C(N2C3=CC=CC=C3N=C(C2=C1)N(C)C)Br
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Product OPENEYE NAME: ethyl 6,8-dibromo-4-(dimethylamino)pyrrolo[1,2-a]quinoxaline-2-carboxylate
CAS Name: 6,8-dibromo-4-(dimethylamino)-2-pyrrolo[1,2-a]quinoxalinecarboxylic acid ethyl ester
IUPAC NAME: ethyl 6,8-dibromo-4-(dimethylamino)pyrrolo[1,2-a]quinoxaline-2-carboxylate
SYSTEMATIC NAME: ethyl 6,8-bis(bromanyl)-4-(dimethylamino)pyrrolo[1,2-a]quinoxaline-2-carboxylate
MOLECULAR FORMULA: C16H15Br2N3O2
MOLECULAR WEIGHT: 441.1172
SMILES: CCOC(=O)C1=CN2C3=CC(=CC(=C3N=C(C2=C1)N(C)C)Br)Br
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Product OPENEYE NAME: 2-[(Z)-cinnamyl]-5-methyl-benzotriazole
CAS Name: 5-methyl-2-[(Z)-3-phenylprop-2-enyl]benzotriazole
IUPAC NAME: 5-methyl-2-[(Z)-3-phenylprop-2-enyl]benzotriazole
SYSTEMATIC NAME: 5-methyl-2-[(Z)-3-phenylprop-2-enyl]benzotriazole
MOLECULAR FORMULA: C16H15N3
MOLECULAR WEIGHT: 249.3104
SMILES: CC1=CC2=NN(N=C2C=C1)C/C=C\C3=CC=CC=C3
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Product OPENEYE NAME: 1-[(Z)-cinnamyl]-4-nitro-imidazole
CAS Name: 4-nitro-1-[(Z)-3-phenylprop-2-enyl]imidazole
IUPAC NAME: 4-nitro-1-[(Z)-3-phenylprop-2-enyl]imidazole
SYSTEMATIC NAME: 4-nitro-1-[(Z)-3-phenylprop-2-enyl]imidazole
MOLECULAR FORMULA: C12H11N3O2
MOLECULAR WEIGHT: 229.23464
SMILES: C1=CC=C(C=C1)/C=C\CN2C=C(N=C2)[N+](=O)[O-]
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Product OPENEYE NAME: 2-(4-chloro-2-nitro-phenyl)-N-(5-chloro-2-nitro-phenyl)-5-methylsulfanyl-1,2,4-triazol-3-amine
CAS Name: 2-(4-chloro-2-nitrophenyl)-N-(5-chloro-2-nitrophenyl)-5-(methylthio)-1,2,4-triazol-3-amine
IUPAC NAME: 2-(4-chloro-2-nitrophenyl)-N-(5-chloro-2-nitrophenyl)-5-methylsulfanyl-1,2,4-triazol-3-amine
SYSTEMATIC NAME: 2-(4-chloranyl-2-nitro-phenyl)-N-(5-chloranyl-2-nitro-phenyl)-5-methylsulfanyl-1,2,4-triazol-3-amine
MOLECULAR FORMULA: C15H10Cl2N6O4S
MOLECULAR WEIGHT: 441.2487
SMILES: CSC1=NN(C(=N1)NC2=C(C=CC(=C2)Cl)[N+](=O)[O-])C3=C(C=C(C=C3)Cl)[N+](=O)[O-]
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Product OPENEYE NAME: 4-methoxy-6-nitro-benzene-1,3-diolate
CAS Name: 4-methoxy-6-nitrobenzene-1,3-diolate
IUPAC NAME: 4-methoxy-6-nitrobenzene-1,3-diolate
SYSTEMATIC NAME: 4-methoxy-6-nitro-benzene-1,3-diolate
MOLECULAR FORMULA: C7H5NO5-2
MOLECULAR WEIGHT: 183.1183
SMILES: COC1=C(C=C(C(=C1)[N+](=O)[O-])[O-])[O-]
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Product OPENEYE NAME: (7Z)-7-(1H-quinolin-2-ylidene)cyclohepta-3,5-diene-1,2-dione
CAS Name: (7Z)-7-(1H-quinolin-2-ylidene)cyclohepta-3,5-diene-1,2-dione
IUPAC NAME: (7Z)-7-(1H-quinolin-2-ylidene)cyclohepta-3,5-diene-1,2-dione
SYSTEMATIC NAME: (7Z)-7-(1H-quinolin-2-ylidene)cyclohepta-3,5-diene-1,2-dione
MOLECULAR FORMULA: C16H11NO2
MOLECULAR WEIGHT: 249.26404
SMILES: C1=CC=C2C(=C1)C=C/C(=C/3\C=CC=CC(=O)C3=O)/N2
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Product OPENEYE NAME: methyl (E)-2-cyano-3-(2,2-dimethyl-1,3-dioxolan-4-yl)prop-2-enoate
CAS Name: (E)-2-cyano-3-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-propenoic acid methyl ester
IUPAC NAME: methyl (E)-2-cyano-3-(2,2-dimethyl-1,3-dioxolan-4-yl)prop-2-enoate
SYSTEMATIC NAME: methyl (E)-2-cyano-3-(2,2-dimethyl-1,3-dioxolan-4-yl)prop-2-enoate
MOLECULAR FORMULA: C10H13NO4
MOLECULAR WEIGHT: 211.21452
SMILES: CC1(OCC(O1)/C=C(\C#N)/C(=O)OC)C
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Product OPENEYE NAME: methyl (E)-3-[(3aR,5R,6S,6aR)-6-benzyloxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-2-cyano-prop-2-enoate
CAS Name: (E)-3-[(3aR,5R,6S,6aR)-2,2-dimethyl-6-phenylmethoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-2-cyano-2-propenoic acid methyl ester
IUPAC NAME: methyl (E)-3-[(3aR,5R,6S,6aR)-2,2-dimethyl-6-phenylmethoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-2-cyanoprop-2-enoate
SYSTEMATIC NAME: methyl (E)-3-[(3aR,5R,6S,6aR)-2,2-dimethyl-6-phenylmethoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-2-cyano-prop-2-enoate
MOLECULAR FORMULA: C19H21NO6
MOLECULAR WEIGHT: 359.37314
SMILES: CC1(O[C@@H]2[C@H]([C@H](O[C@@H]2O1)/C=C(\C#N)/C(=O)OC)OCC3=CC=CC=C3)C
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Product OPENEYE NAME: ethyl (E)-2-cyano-3-(2,2-dimethyl-1,3-dioxolan-4-yl)prop-2-enoate
CAS Name: (E)-2-cyano-3-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-propenoic acid ethyl ester
IUPAC NAME: ethyl (E)-2-cyano-3-(2,2-dimethyl-1,3-dioxolan-4-yl)prop-2-enoate
SYSTEMATIC NAME: ethyl (E)-2-cyano-3-(2,2-dimethyl-1,3-dioxolan-4-yl)prop-2-enoate
MOLECULAR FORMULA: C11H15NO4
MOLECULAR WEIGHT: 225.2411
SMILES: CCOC(=O)/C(=C/C1COC(O1)(C)C)/C#N
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Product OPENEYE NAME: methyl (4S)-2-amino-5-cyano-4-(2,2-dimethyl-1,3-dioxolan-4-yl)-6-phenyl-4H-pyran-3-carboxylate
CAS Name: (4S)-2-amino-5-cyano-4-(2,2-dimethyl-1,3-dioxolan-4-yl)-6-phenyl-4H-pyran-3-carboxylic acid methyl ester
IUPAC NAME: methyl (4S)-2-amino-5-cyano-4-(2,2-dimethyl-1,3-dioxolan-4-yl)-6-phenyl-4H-pyran-3-carboxylate
SYSTEMATIC NAME: methyl (4S)-2-azanyl-5-cyano-4-(2,2-dimethyl-1,3-dioxolan-4-yl)-6-phenyl-4H-pyran-3-carboxylate
MOLECULAR FORMULA: C19H20N2O5
MOLECULAR WEIGHT: 356.3725
SMILES: CC1(OCC(O1)[C@H]2C(=C(OC(=C2C(=O)OC)N)C3=CC=CC=C3)C#N)C
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Product OPENEYE NAME: methyl (4R)-2-amino-5-cyano-4-(2,2-dimethyl-1,3-dioxolan-4-yl)-6-phenyl-4H-pyran-3-carboxylate
CAS Name: (4R)-2-amino-5-cyano-4-(2,2-dimethyl-1,3-dioxolan-4-yl)-6-phenyl-4H-pyran-3-carboxylic acid methyl ester
IUPAC NAME: methyl (4R)-2-amino-5-cyano-4-(2,2-dimethyl-1,3-dioxolan-4-yl)-6-phenyl-4H-pyran-3-carboxylate
SYSTEMATIC NAME: methyl (4R)-2-azanyl-5-cyano-4-(2,2-dimethyl-1,3-dioxolan-4-yl)-6-phenyl-4H-pyran-3-carboxylate
MOLECULAR FORMULA: C19H20N2O5
MOLECULAR WEIGHT: 356.3725
SMILES: CC1(OCC(O1)[C@@H]2C(=C(OC(=C2C(=O)OC)N)C3=CC=CC=C3)C#N)C
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Product OPENEYE NAME: methyl (4R)-2-amino-4-[(1S)-1-benzyloxyethyl]-5-cyano-6-phenyl-4H-pyran-3-carboxylate
CAS Name: (4R)-2-amino-5-cyano-6-phenyl-4-[(1S)-1-phenylmethoxyethyl]-4H-pyran-3-carboxylic acid methyl ester
IUPAC NAME: methyl (4R)-2-amino-5-cyano-6-phenyl-4-[(1S)-1-phenylmethoxyethyl]-4H-pyran-3-carboxylate
SYSTEMATIC NAME: methyl (4R)-2-azanyl-5-cyano-6-phenyl-4-[(1S)-1-phenylmethoxyethyl]-4H-pyran-3-carboxylate
MOLECULAR FORMULA: C23H22N2O4
MOLECULAR WEIGHT: 390.43178
SMILES: C[C@@H]([C@@H]1C(=C(OC(=C1C(=O)OC)N)C2=CC=CC=C2)C#N)OCC3=CC=CC=C3
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