Product OPENEYE NAME: 2-methyl-1-propyl-4-propylimino-pyridin-3-olate
CAS Name: 2-methyl-1-propyl-4-propylimino-3-pyridinolate
IUPAC NAME: 2-methyl-1-propyl-4-propyliminopyridin-3-olate
SYSTEMATIC NAME: 2-methyl-1-propyl-4-propylimino-pyridin-3-olate
MOLECULAR FORMULA: C12H19N2O-
MOLECULAR WEIGHT: 207.29206
SMILES: CCCN=C1C=CN(C(=C1[O-])C)CCC
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Product OPENEYE NAME: 2-methyl-4-oxo-1-(2-phenylethyl)pyridin-3-olate
CAS Name: 2-methyl-4-oxo-1-(2-phenylethyl)-3-pyridinolate
IUPAC NAME: 2-methyl-4-oxo-1-(2-phenylethyl)pyridin-3-olate
SYSTEMATIC NAME: 2-methyl-4-oxidanylidene-1-(2-phenylethyl)pyridin-3-olate
MOLECULAR FORMULA: C14H14NO2-
MOLECULAR WEIGHT: 228.26646
SMILES: CC1=C(C(=O)C=CN1CCC2=CC=CC=C2)[O-]
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Product OPENEYE NAME: 2-methyl-1-(2-phenylethyl)-4-propylimino-pyridin-3-olate
CAS Name: 2-methyl-1-(2-phenylethyl)-4-propylimino-3-pyridinolate
IUPAC NAME: 2-methyl-1-(2-phenylethyl)-4-propyliminopyridin-3-olate
SYSTEMATIC NAME: 2-methyl-1-(2-phenylethyl)-4-propylimino-pyridin-3-olate
MOLECULAR FORMULA: C17H21N2O-
MOLECULAR WEIGHT: 269.36144
SMILES: CCCN=C1C=CN(C(=C1[O-])C)CCC2=CC=CC=C2
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Product OPENEYE NAME: 2-methyl-1-phenyl-4-phenylimino-pyridin-3-olate
CAS Name: 2-methyl-1-phenyl-4-phenylimino-3-pyridinolate
IUPAC NAME: 2-methyl-1-phenyl-4-phenyliminopyridin-3-olate
SYSTEMATIC NAME: 2-methyl-1-phenyl-4-phenylimino-pyridin-3-olate
MOLECULAR FORMULA: C18H15N2O-
MOLECULAR WEIGHT: 275.3245
SMILES: CC1=C(C(=NC2=CC=CC=C2)C=CN1C3=CC=CC=C3)[O-]
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Product OPENEYE NAME: 1-[2-(diethylamino)ethyl]-3-hydroxy-2-methyl-pyridin-4-one
CAS Name: 1-[2-(diethylamino)ethyl]-3-hydroxy-2-methyl-4-pyridinone
IUPAC NAME: 1-[2-(diethylamino)ethyl]-3-hydroxy-2-methylpyridin-4-one
SYSTEMATIC NAME: 1-[2-(diethylamino)ethyl]-2-methyl-3-oxidanyl-pyridin-4-one
MOLECULAR FORMULA: C12H20N2O2
MOLECULAR WEIGHT: 224.2994
SMILES: CCN(CC)CCN1C=CC(=O)C(=C1C)O
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Product OPENEYE NAME: 2-[4-(4-methoxyphenyl)phenyl]-3-propyl-1H-benzimidazol-3-ium
CAS Name: 2-[4-(4-methoxyphenyl)phenyl]-3-propyl-1H-benzimidazol-3-ium
IUPAC NAME: 2-[4-(4-methoxyphenyl)phenyl]-3-propyl-1H-benzimidazol-3-ium
SYSTEMATIC NAME: 2-[4-(4-methoxyphenyl)phenyl]-3-propyl-1H-benzimidazol-3-ium
MOLECULAR FORMULA: C23H23N2O+
MOLECULAR WEIGHT: 343.44152
SMILES: CCC[N+]1=C(NC2=CC=CC=C21)C3=CC=C(C=C3)C4=CC=C(C=C4)OC
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Product OPENEYE NAME: (6Z)-3-(1-methylbenzimidazol-2-yl)-6-(3-methyl-1H-benzimidazol-2-ylidene)cyclohexa-2,4-dien-1-one
CAS Name: (6Z)-3-(1-methyl-2-benzimidazolyl)-6-(3-methyl-1H-benzimidazol-2-ylidene)-1-cyclohexa-2,4-dienone
IUPAC NAME: (6Z)-3-(1-methylbenzimidazol-2-yl)-6-(3-methyl-1H-benzimidazol-2-ylidene)cyclohexa-2,4-dien-1-one
SYSTEMATIC NAME: (6Z)-3-(1-methylbenzimidazol-2-yl)-6-(3-methyl-1H-benzimidazol-2-ylidene)cyclohexa-2,4-dien-1-one
MOLECULAR FORMULA: C22H18N4O
MOLECULAR WEIGHT: 354.40452
SMILES: CN\1C2=CC=CC=C2N/C1=C/3\C=CC(=CC3=O)C4=NC5=CC=CC=C5N4C
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Product OPENEYE NAME: diethyl 4-trimethylsilyloxy-3,6-dihydropyridazine-1,2-dicarboxylate
CAS Name: 4-trimethylsilyloxy-3,6-dihydropyridazine-1,2-dicarboxylic acid diethyl ester
IUPAC NAME: diethyl 4-trimethylsilyloxy-3,6-dihydropyridazine-1,2-dicarboxylate
SYSTEMATIC NAME: diethyl 4-trimethylsilyloxy-3,6-dihydropyridazine-1,2-dicarboxylate
MOLECULAR FORMULA: C13H24N2O5Si
MOLECULAR WEIGHT: 316.42556
SMILES: CCOC(=O)N1CC=C(CN1C(=O)OCC)O[Si](C)(C)C
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Product OPENEYE NAME: 2-(2-methyl-2,3-diazabicyclo[2.2.1]heptan-3-yl)acetonitrile
CAS Name: 2-(2-methyl-2,3-diazabicyclo[2.2.1]heptan-3-yl)acetonitrile
IUPAC NAME: 2-(2-methyl-2,3-diazabicyclo[2.2.1]heptan-3-yl)acetonitrile
SYSTEMATIC NAME: 2-(2-methyl-2,3-diazabicyclo[2.2.1]heptan-3-yl)ethanenitrile
MOLECULAR FORMULA: C8H13N3
MOLECULAR WEIGHT: 151.20892
SMILES: CN1C2CCC(C2)N1CC#N
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Product OPENEYE NAME: 2-(2-methyl-2,3-diazabicyclo[2.2.1]heptan-3-yl)ethanamine
CAS Name: 2-(2-methyl-2,3-diazabicyclo[2.2.1]heptan-3-yl)ethanamine
IUPAC NAME: 2-(2-methyl-2,3-diazabicyclo[2.2.1]heptan-3-yl)ethanamine
SYSTEMATIC NAME: 2-(2-methyl-2,3-diazabicyclo[2.2.1]heptan-3-yl)ethanamine
MOLECULAR FORMULA: C8H17N3
MOLECULAR WEIGHT: 155.24068
SMILES: CN1C2CCC(C2)N1CCN
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Product OPENEYE NAME: N-[2-(2-methyl-2,3-diazabicyclo[2.2.1]heptan-3-yl)ethyl]-4-nitro-benzamide
CAS Name: N-[2-(2-methyl-2,3-diazabicyclo[2.2.1]heptan-3-yl)ethyl]-4-nitrobenzamide
IUPAC NAME: N-[2-(2-methyl-2,3-diazabicyclo[2.2.1]heptan-3-yl)ethyl]-4-nitrobenzamide
SYSTEMATIC NAME: N-[2-(2-methyl-2,3-diazabicyclo[2.2.1]heptan-3-yl)ethyl]-4-nitro-benzamide
MOLECULAR FORMULA: C15H20N4O3
MOLECULAR WEIGHT: 304.3443
SMILES: CN1C2CCC(C2)N1CCNC(=O)C3=CC=C(C=C3)[N+](=O)[O-]
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Product OPENEYE NAME: 4-amino-N-[2-(2-methyl-2,3-diazabicyclo[2.2.1]heptan-3-yl)ethyl]benzamide
CAS Name: 4-amino-N-[2-(2-methyl-2,3-diazabicyclo[2.2.1]heptan-3-yl)ethyl]benzamide
IUPAC NAME: 4-amino-N-[2-(2-methyl-2,3-diazabicyclo[2.2.1]heptan-3-yl)ethyl]benzamide
SYSTEMATIC NAME: 4-azanyl-N-[2-(2-methyl-2,3-diazabicyclo[2.2.1]heptan-3-yl)ethyl]benzamide
MOLECULAR FORMULA: C15H22N4O
MOLECULAR WEIGHT: 274.36138
SMILES: CN1C2CCC(C2)N1CCNC(=O)C3=CC=C(C=C3)N
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Product OPENEYE NAME: diethyl 3-cyanohexahydropyridazine-1,2-dicarboxylate
CAS Name: 3-cyanodiazinane-1,2-dicarboxylic acid diethyl ester
IUPAC NAME: diethyl 3-cyanodiazinane-1,2-dicarboxylate
SYSTEMATIC NAME: diethyl 3-cyano-1,2-diazinane-1,2-dicarboxylate
MOLECULAR FORMULA: C11H17N3O4
MOLECULAR WEIGHT: 255.27038
SMILES: CCOC(=O)N1CCCC(N1C(=O)OCC)C#N
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Product OPENEYE NAME: diethyl (4E)-4-hydroxyiminohexahydropyridazine-1,2-dicarboxylate
CAS Name: (4E)-4-hydroxyiminodiazinane-1,2-dicarboxylic acid diethyl ester
IUPAC NAME: diethyl (4E)-4-hydroxyiminodiazinane-1,2-dicarboxylate
SYSTEMATIC NAME: diethyl (4E)-4-hydroxyimino-1,2-diazinane-1,2-dicarboxylate
MOLECULAR FORMULA: C10H17N3O5
MOLECULAR WEIGHT: 259.25908
SMILES: CCOC(=O)N1CC/C(=N\O)/CN1C(=O)OCC
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Product OPENEYE NAME: 2-ethyl-3-(4-methoxycyclohexa-2,4-dien-1-yl)-1-methyl-indole
CAS Name: 2-ethyl-3-(4-methoxy-1-cyclohexa-2,4-dienyl)-1-methylindole
IUPAC NAME: 2-ethyl-3-(4-methoxycyclohexa-2,4-dien-1-yl)-1-methylindole
SYSTEMATIC NAME: 2-ethyl-3-(4-methoxycyclohexa-2,4-dien-1-yl)-1-methyl-indole
MOLECULAR FORMULA: C18H21NO
MOLECULAR WEIGHT: 267.36544
SMILES: CCC1=C(C2=CC=CC=C2N1C)C3CC=C(C=C3)OC
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Product OPENEYE NAME: dimethyl 5-methoxy-4-[2-[[(Z)-3-methoxy-1-methoxycarbonyl-3-oxo-prop-1-enyl]amino]phenyl]-3-methyl-benzene-1,2-dicarboxylate
CAS Name: 4-[2-[[(Z)-1,4-dimethoxy-1,4-dioxobut-2-en-2-yl]amino]phenyl]-5-methoxy-3-methylbenzene-1,2-dicarboxylic acid dimethyl ester
IUPAC NAME: dimethyl 4-[2-[[(Z)-1,4-dimethoxy-1,4-dioxobut-2-en-2-yl]amino]phenyl]-5-methoxy-3-methylbenzene-1,2-dicarboxylate
SYSTEMATIC NAME: dimethyl 4-[2-[[(Z)-1,4-dimethoxy-1,4-bis(oxidanylidene)but-2-en-2-yl]amino]phenyl]-5-methoxy-3-methyl-benzene-1,2-dicarboxylate
MOLECULAR FORMULA: C24H25NO9
MOLECULAR WEIGHT: 471.4566
SMILES: CC1=C(C(=CC(=C1C2=CC=CC=C2N/C(=C\C(=O)OC)/C(=O)OC)OC)C(=O)OC)C(=O)OC
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Product OPENEYE NAME: [(2R,3R,4R,5R)-3,4-dibenzoyloxy-5-[(4Z)-2-oxo-4-(2-thioxohexylidene)pyrimidin-1-yl]tetrahydrofuran-2-yl]methyl benzoate
CAS Name: benzoic acid [(2R,3R,4R,5R)-3,4-dibenzoyloxy-5-[(4Z)-2-oxo-4-(2-sulfanylidenehexylidene)-1-pyrimidinyl]-2-oxolanyl]methyl ester
IUPAC NAME: [(2R,3R,4R,5R)-3,4-dibenzoyloxy-5-[(4Z)-2-oxo-4-(2-sulfanylidenehexylidene)pyrimidin-1-yl]oxolan-2-yl]methyl benzoate
SYSTEMATIC NAME: [(2R,3R,4R,5R)-5-[(4Z)-2-oxidanylidene-4-(2-sulfanylidenehexylidene)pyrimidin-1-yl]-3,4-bis(phenylcarbonyloxy)oxolan-2-yl]methyl benzoate
MOLECULAR FORMULA: C36H34N2O8S
MOLECULAR WEIGHT: 654.72876
SMILES: CCCCC(=S)/C=C\1/C=CN(C(=O)N1)[C@H]2[C@@H]([C@@H]([C@H](O2)COC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5
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Product OPENEYE NAME: [(2R,3R,4R,5R)-3,4-dibenzoyloxy-5-[(4Z)-2-oxo-4-(2-oxoethylidene)pyrimidin-1-yl]tetrahydrofuran-2-yl]methyl benzoate
CAS Name: benzoic acid [(2R,3R,4R,5R)-3,4-dibenzoyloxy-5-[(4Z)-2-oxo-4-(2-oxoethylidene)-1-pyrimidinyl]-2-oxolanyl]methyl ester
IUPAC NAME: [(2R,3R,4R,5R)-3,4-dibenzoyloxy-5-[(4Z)-2-oxo-4-(2-oxoethylidene)pyrimidin-1-yl]oxolan-2-yl]methyl benzoate
SYSTEMATIC NAME: [(2R,3R,4R,5R)-5-[(4Z)-2-oxidanylidene-4-(2-oxidanylideneethylidene)pyrimidin-1-yl]-3,4-bis(phenylcarbonyloxy)oxolan-2-yl]methyl benzoate
MOLECULAR FORMULA: C32H26N2O9
MOLECULAR WEIGHT: 582.55684
SMILES: C1=CC=C(C=C1)C(=O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=C/C(=C/C=O)/NC3=O)OC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5
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Product OPENEYE NAME: 6-nitro-1,4-benzodioxin-2-one
CAS Name: 6-nitro-1,4-benzodioxin-2-one
IUPAC NAME: 6-nitro-1,4-benzodioxin-2-one
SYSTEMATIC NAME: 6-nitro-1,4-benzodioxin-2-one
MOLECULAR FORMULA: C8H5NO5
MOLECULAR WEIGHT: 195.129
SMILES: C1C(=O)OC2=C(O1)C=C(C=C2)[N+](=O)[O-]
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Product OPENEYE NAME: 6-nitro-1,4-benzodioxin-3-one
CAS Name: 6-nitro-1,4-benzodioxin-3-one
IUPAC NAME: 6-nitro-1,4-benzodioxin-3-one
SYSTEMATIC NAME: 6-nitro-1,4-benzodioxin-3-one
MOLECULAR FORMULA: C8H5NO5
MOLECULAR WEIGHT: 195.129
SMILES: C1C(=O)OC2=C(O1)C=CC(=C2)[N+](=O)[O-]
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Product OPENEYE NAME: 6-tert-butyl-1,4-benzodioxin-3-one
CAS Name: 6-tert-butyl-1,4-benzodioxin-3-one
IUPAC NAME: 6-tert-butyl-1,4-benzodioxin-3-one
SYSTEMATIC NAME: 6-tert-butyl-1,4-benzodioxin-3-one
MOLECULAR FORMULA: C12H14O3
MOLECULAR WEIGHT: 206.23776
SMILES: CC(C)(C)C1=CC2=C(C=C1)OCC(=O)O2
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Product OPENEYE NAME: 4-bromo-2-[(Z)-2-chloro-2-nitro-vinyl]phenol
CAS Name: 4-bromo-2-[(Z)-2-chloro-2-nitroethenyl]phenol
IUPAC NAME: 4-bromo-2-[(Z)-2-chloro-2-nitroethenyl]phenol
SYSTEMATIC NAME: 4-bromanyl-2-[(Z)-2-chloranyl-2-nitro-ethenyl]phenol
MOLECULAR FORMULA: C8H5BrClNO3
MOLECULAR WEIGHT: 278.4872
SMILES: C1=CC(=C(C=C1Br)/C=C(/[N+](=O)[O-])\Cl)O
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Product OPENEYE NAME: 2-[(Z)-2-chloro-2-nitro-vinyl]-4,6-dimethoxy-phenol
CAS Name: 2-[(Z)-2-chloro-2-nitroethenyl]-4,6-dimethoxyphenol
IUPAC NAME: 2-[(Z)-2-chloro-2-nitroethenyl]-4,6-dimethoxyphenol
SYSTEMATIC NAME: 2-[(Z)-2-chloranyl-2-nitro-ethenyl]-4,6-dimethoxy-phenol
MOLECULAR FORMULA: C10H10ClNO5
MOLECULAR WEIGHT: 259.6431
SMILES: COC1=CC(=C(C(=C1)/C=C(/[N+](=O)[O-])\Cl)O)OC
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