Product OPENEYE NAME: methyl 4-hydroxy-5-nitro-hexanoate
CAS Name: 4-hydroxy-5-nitrohexanoic acid methyl ester
IUPAC NAME: methyl 4-hydroxy-5-nitrohexanoate
SYSTEMATIC NAME: methyl 5-nitro-4-oxidanyl-hexanoate
MOLECULAR FORMULA: C7H13NO5
MOLECULAR WEIGHT: 191.18182
SMILES: CC(C(CCC(=O)OC)O)[N+](=O)[O-]
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Product OPENEYE NAME: tert-butyl isocyanoformate
CAS Name: isocyanoformic acid tert-butyl ester
IUPAC NAME: tert-butyl isocyanoformate
SYSTEMATIC NAME: tert-butyl isocyanomethanoate
MOLECULAR FORMULA: C6H9NO2
MOLECULAR WEIGHT: 127.14116
SMILES: CC(C)(C)OC(=O)[N+]#[C-]
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Product OPENEYE NAME: 6-nitroundecane-3,9-dione
CAS Name: 6-nitroundecane-3,9-dione
IUPAC NAME: 6-nitroundecane-3,9-dione
SYSTEMATIC NAME: 6-nitroundecane-3,9-dione
MOLECULAR FORMULA: C11H19NO4
MOLECULAR WEIGHT: 229.27286
SMILES: CCC(=O)CCC(CCC(=O)CC)[N+](=O)[O-]
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Product OPENEYE NAME: 7-nitrotridecane-4,10-dione
CAS Name: 7-nitrotridecane-4,10-dione
IUPAC NAME: 7-nitrotridecane-4,10-dione
SYSTEMATIC NAME: 7-nitrotridecane-4,10-dione
MOLECULAR FORMULA: C13H23NO4
MOLECULAR WEIGHT: 257.32602
SMILES: CCCC(=O)CCC(CCC(=O)CCC)[N+](=O)[O-]
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Product OPENEYE NAME: (3S,8S)-3,8-diethyl-4,9-dioxaspiro[4.4]nonane
CAS Name: (3S,8S)-3,8-diethyl-4,9-dioxaspiro[4.4]nonane
IUPAC NAME: (3S,8S)-3,8-diethyl-4,9-dioxaspiro[4.4]nonane
SYSTEMATIC NAME: (3S,8S)-3,8-diethyl-4,9-dioxaspiro[4.4]nonane
MOLECULAR FORMULA: C11H20O2
MOLECULAR WEIGHT: 184.2753
SMILES: CC[C@H]1CCC2(O1)CC[C@@H](O2)CC
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Product OPENEYE NAME: (3R,8R)-3,8-dipropyl-4,9-dioxaspiro[4.4]nonane
CAS Name: (3R,8R)-3,8-dipropyl-4,9-dioxaspiro[4.4]nonane
IUPAC NAME: (3R,8R)-3,8-dipropyl-4,9-dioxaspiro[4.4]nonane
SYSTEMATIC NAME: (3R,8R)-3,8-dipropyl-4,9-dioxaspiro[4.4]nonane
MOLECULAR FORMULA: C13H24O2
MOLECULAR WEIGHT: 212.32846
SMILES: CCC[C@@H]1CCC2(O1)CC[C@H](O2)CCC
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Product OPENEYE NAME: (3S,8S)-3,8-dipropyl-4,9-dioxaspiro[4.4]nonane
CAS Name: (3S,8S)-3,8-dipropyl-4,9-dioxaspiro[4.4]nonane
IUPAC NAME: (3S,8S)-3,8-dipropyl-4,9-dioxaspiro[4.4]nonane
SYSTEMATIC NAME: (3S,8S)-3,8-dipropyl-4,9-dioxaspiro[4.4]nonane
MOLECULAR FORMULA: C13H24O2
MOLECULAR WEIGHT: 212.32846
SMILES: CCC[C@H]1CCC2(O1)CC[C@@H](O2)CCC
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Product OPENEYE NAME: 5-ethyl-7-oxido-thieno[2,3-b]pyridin-7-ium
CAS Name: 5-ethyl-7-oxidothieno[2,3-b]pyridin-7-ium
IUPAC NAME: 5-ethyl-7-oxidothieno[2,3-b]pyridin-7-ium
SYSTEMATIC NAME: 5-ethyl-7-oxidanidyl-thieno[2,3-b]pyridin-7-ium
MOLECULAR FORMULA: C9H9NOS
MOLECULAR WEIGHT: 179.23886
SMILES: CCC1=C[N+](=C2C(=C1)C=CS2)[O-]
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Product OPENEYE NAME: ethyl (2Z)-2-cyano-2-(4H-thieno[3,2-b]pyridin-7-ylidene)acetate
CAS Name: (2Z)-2-cyano-2-(4H-thieno[3,2-b]pyridin-7-ylidene)acetic acid ethyl ester
IUPAC NAME: ethyl (2Z)-2-cyano-2-(4H-thieno[3,2-b]pyridin-7-ylidene)acetate
SYSTEMATIC NAME: ethyl (2Z)-2-cyano-2-(4H-thieno[3,2-b]pyridin-7-ylidene)ethanoate
MOLECULAR FORMULA: C12H10N2O2S
MOLECULAR WEIGHT: 246.285
SMILES: CCOC(=O)/C(=C\1/C=CNC2=C1SC=C2)/C#N
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Product OPENEYE NAME: N-(8,8-dimethyl-2,5-dioxo-1,6,7,9-tetrahydropyrido[3,2-c]azepin-3-yl)benzamide
CAS Name: N-(8,8-dimethyl-2,5-dioxo-1,6,7,9-tetrahydropyrido[3,2-c]azepin-3-yl)benzamide
IUPAC NAME: N-(8,8-dimethyl-2,5-dioxo-1,6,7,9-tetrahydropyrido[3,2-c]azepin-3-yl)benzamide
SYSTEMATIC NAME: N-[8,8-dimethyl-2,5-bis(oxidanylidene)-1,6,7,9-tetrahydropyrido[3,2-c]azepin-3-yl]benzamide
MOLECULAR FORMULA: C18H19N3O3
MOLECULAR WEIGHT: 325.36176
SMILES: CC1(CC2=C(C=C(C(=O)N2)NC(=O)C3=CC=CC=C3)C(=O)NC1)C
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Product OPENEYE NAME: 4-nitroso-3,5-diphenyl-2,5-dihydroisoxazole
CAS Name: 4-nitroso-3,5-diphenyl-2,5-dihydroisoxazole
IUPAC NAME: 4-nitroso-3,5-diphenyl-2,5-dihydro-1,2-oxazole
SYSTEMATIC NAME: 4-nitroso-3,5-diphenyl-2,5-dihydro-1,2-oxazole
MOLECULAR FORMULA: C15H12N2O2
MOLECULAR WEIGHT: 252.26798
SMILES: C1=CC=C(C=C1)C2C(=C(NO2)C3=CC=CC=C3)N=O
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Product OPENEYE NAME: (Z)-3-bromopent-3-en-2-one oxime
CAS Name: (Z)-3-bromo-3-penten-2-one oxime
IUPAC NAME: (NE)-N-[(Z)-3-bromopent-3-en-2-ylidene]hydroxylamine
SYSTEMATIC NAME: (NE)-N-[(Z)-3-bromanylpent-3-en-2-ylidene]hydroxylamine
MOLECULAR FORMULA: C5H8BrNO
MOLECULAR WEIGHT: 178.02712
SMILES: C/C=C(/C(=N/O)/C)\Br
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Product OPENEYE NAME: (Z)-2-bromo-1,3-diphenyl-prop-2-en-1-one oxime
CAS Name: (Z)-2-bromo-1,3-diphenyl-2-propen-1-one oxime
IUPAC NAME: (NZ)-N-[(Z)-2-bromo-1,3-diphenylprop-2-enylidene]hydroxylamine
SYSTEMATIC NAME: (NZ)-N-[(Z)-2-bromanyl-1,3-diphenyl-prop-2-enylidene]hydroxylamine
MOLECULAR FORMULA: C15H12BrNO
MOLECULAR WEIGHT: 302.16588
SMILES: C1=CC=C(C=C1)/C=C(/C(=N\O)/C2=CC=CC=C2)\Br
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Product OPENEYE NAME: 4-bromo-3,5-dimethyl-1,2-dioxido-pyrazol-2-ium
CAS Name: 4-bromo-3,5-dimethyl-1,2-dioxidopyrazol-2-ium
IUPAC NAME: 4-bromo-3,5-dimethyl-1,2-dioxidopyrazol-2-ium
SYSTEMATIC NAME: 4-bromanyl-3,5-dimethyl-1,2-bis(oxidanidyl)pyrazol-2-ium
MOLECULAR FORMULA: C5H6BrN2O2-
MOLECULAR WEIGHT: 206.01734
SMILES: CC1=C(C(=[N+](N1[O-])[O-])C)Br
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Product OPENEYE NAME: 4-bromo-3-methyl-1,2-dioxido-5-phenyl-pyrazol-1-ium
CAS Name: 4-bromo-3-methyl-1,2-dioxido-5-phenylpyrazol-1-ium
IUPAC NAME: 4-bromo-3-methyl-1,2-dioxido-5-phenylpyrazol-1-ium
SYSTEMATIC NAME: 4-bromanyl-3-methyl-1,2-bis(oxidanidyl)-5-phenyl-pyrazol-1-ium
MOLECULAR FORMULA: C10H8BrN2O2-
MOLECULAR WEIGHT: 268.08672
SMILES: CC1=C(C(=[N+](N1[O-])[O-])C2=CC=CC=C2)Br
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Product OPENEYE NAME: 4-bromo-1,2-dioxido-3,5-diphenyl-pyrazol-2-ium
CAS Name: 4-bromo-1,2-dioxido-3,5-diphenylpyrazol-2-ium
IUPAC NAME: 4-bromo-1,2-dioxido-3,5-diphenylpyrazol-2-ium
SYSTEMATIC NAME: 4-bromanyl-1,2-bis(oxidanidyl)-3,5-diphenyl-pyrazol-2-ium
MOLECULAR FORMULA: C15H10BrN2O2-
MOLECULAR WEIGHT: 330.1561
SMILES: C1=CC=C(C=C1)C2=C(C(=[N+](N2[O-])[O-])C3=CC=CC=C3)Br
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Product OPENEYE NAME: [(Z)-(3,5-diphenylisoxazol-4-ylidene)amino] acetate
CAS Name: acetic acid [(Z)-(3,5-diphenyl-4-isoxazolylidene)amino] ester
IUPAC NAME: [(Z)-(3,5-diphenyl-1,2-oxazol-4-ylidene)amino] acetate
SYSTEMATIC NAME: [(Z)-(3,5-diphenyl-1,2-oxazol-4-ylidene)amino] ethanoate
MOLECULAR FORMULA: C17H14N2O3
MOLECULAR WEIGHT: 294.30466
SMILES: CC(=O)O/N=C/1\C(ON=C1C2=CC=CC=C2)C3=CC=CC=C3
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Product OPENEYE NAME: 4-ethyl-2,6-di(imidazol-1-yl)-5-nitro-pyrimidine
CAS Name: 4-ethyl-2,6-bis(1-imidazolyl)-5-nitropyrimidine
IUPAC NAME: 4-ethyl-2,6-di(imidazol-1-yl)-5-nitropyrimidine
SYSTEMATIC NAME: 4-ethyl-2,6-di(imidazol-1-yl)-5-nitro-pyrimidine
MOLECULAR FORMULA: C12H11N7O2
MOLECULAR WEIGHT: 285.26144
SMILES: CCC1=C(C(=NC(=N1)N2C=CN=C2)N3C=CN=C3)[N+](=O)[O-]
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Product OPENEYE NAME: 2,4-dichloro-6-ethyl-5-nitro-pyrimidine
CAS Name: 2,4-dichloro-6-ethyl-5-nitropyrimidine
IUPAC NAME: 2,4-dichloro-6-ethyl-5-nitropyrimidine
SYSTEMATIC NAME: 2,4-bis(chloranyl)-6-ethyl-5-nitro-pyrimidine
MOLECULAR FORMULA: C6H5Cl2N3O2
MOLECULAR WEIGHT: 222.0288
SMILES: CCC1=C(C(=NC(=N1)Cl)Cl)[N+](=O)[O-]
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Product OPENEYE NAME: 2-imidazol-1-yl-4-methyl-3-nitro-pyridine
CAS Name: 2-(1-imidazolyl)-4-methyl-3-nitropyridine
IUPAC NAME: 2-imidazol-1-yl-4-methyl-3-nitropyridine
SYSTEMATIC NAME: 2-imidazol-1-yl-4-methyl-3-nitro-pyridine
MOLECULAR FORMULA: C9H8N4O2
MOLECULAR WEIGHT: 204.18542
SMILES: CC1=C(C(=NC=C1)N2C=CN=C2)[N+](=O)[O-]
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