Product OPENEYE NAME: [(E)-[1-[(6,7-dimethoxy-2-naphthyl)methyl]-2-pyridylidene]methyl]-oxo-ammonium
CAS Name: [(E)-[1-[(6,7-dimethoxy-2-naphthalenyl)methyl]-2-pyridinylidene]methyl]-oxoammonium
IUPAC NAME: [(E)-[1-[(6,7-dimethoxynaphthalen-2-yl)methyl]pyridin-2-ylidene]methyl]-oxoazanium
SYSTEMATIC NAME: [(E)-[1-[(6,7-dimethoxynaphthalen-2-yl)methyl]pyridin-2-ylidene]methyl]-oxidanylidene-azanium
MOLECULAR FORMULA: C19H19N2O3+
MOLECULAR WEIGHT: 323.36576
SMILES: COC1=C(C=C2C=C(C=CC2=C1)CN\3C=CC=C/C3=C\[NH+]=O)OC
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Product OPENEYE NAME: (2E)-1-[(6,7-dimethoxy-2-naphthyl)methyl]-2-(nitrosomethylene)pyridine
CAS Name: (2E)-1-[(6,7-dimethoxy-2-naphthalenyl)methyl]-2-(nitrosomethylidene)pyridine
IUPAC NAME: (2E)-1-[(6,7-dimethoxynaphthalen-2-yl)methyl]-2-(nitrosomethylidene)pyridine
SYSTEMATIC NAME: (2E)-1-[(6,7-dimethoxynaphthalen-2-yl)methyl]-2-(nitrosomethylidene)pyridine
MOLECULAR FORMULA: C19H18N2O3
MOLECULAR WEIGHT: 322.35782
SMILES: COC1=C(C=C2C=C(C=CC2=C1)CN\3C=CC=C/C3=C\N=O)OC
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Product OPENEYE NAME: (2Z)-2-[amino(hydroxy)methylene]-1-methyl-indolin-3-one
CAS Name: (2Z)-2-[amino(hydroxy)methylidene]-1-methyl-3-indolone
IUPAC NAME: (2Z)-2-[amino(hydroxy)methylidene]-1-methylindol-3-one
SYSTEMATIC NAME: (2Z)-2-[azanyl(oxidanyl)methylidene]-1-methyl-indol-3-one
MOLECULAR FORMULA: C10H10N2O2
MOLECULAR WEIGHT: 190.1986
SMILES: CN\1C2=CC=CC=C2C(=O)/C1=C(\N)/O
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Product OPENEYE NAME: 2-[2-(2-methoxy-2-oxo-ethyl)phenyl]acetate
CAS Name: 2-[2-(2-methoxy-2-oxoethyl)phenyl]acetate
IUPAC NAME: 2-[2-(2-methoxy-2-oxoethyl)phenyl]acetate
SYSTEMATIC NAME: 2-[2-(2-methoxy-2-oxidanylidene-ethyl)phenyl]ethanoate
MOLECULAR FORMULA: C11H11O4-
MOLECULAR WEIGHT: 207.20264
SMILES: COC(=O)CC1=CC=CC=C1CC(=O)[O-]
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Product OPENEYE NAME: methyl 2-[2-(2-chloro-2-oxo-ethyl)phenyl]acetate
CAS Name: 2-[2-(2-chloro-2-oxoethyl)phenyl]acetic acid methyl ester
IUPAC NAME: methyl 2-[2-(2-chloro-2-oxoethyl)phenyl]acetate
SYSTEMATIC NAME: methyl 2-[2-(2-chloranyl-2-oxidanylidene-ethyl)phenyl]ethanoate
MOLECULAR FORMULA: C11H11ClO3
MOLECULAR WEIGHT: 226.65624
SMILES: COC(=O)CC1=CC=CC=C1CC(=O)Cl
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Product OPENEYE NAME: ethyl (2Z)-2-(dimethylaminomethylene)-3-oxo-4-phenoxy-butanoate
CAS Name: (2Z)-2-(dimethylaminomethylidene)-3-oxo-4-phenoxybutanoic acid ethyl ester
IUPAC NAME: ethyl (2Z)-2-(dimethylaminomethylidene)-3-oxo-4-phenoxybutanoate
SYSTEMATIC NAME: ethyl (2Z)-2-(dimethylaminomethylidene)-3-oxidanylidene-4-phenoxy-butanoate
MOLECULAR FORMULA: C15H19NO4
MOLECULAR WEIGHT: 277.31566
SMILES: CCOC(=O)/C(=C\N(C)C)/C(=O)COC1=CC=CC=C1
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Product OPENEYE NAME: 5-(phenoxymethyl)-3H-pyrazole-4-carboxylic acid
CAS Name: 5-(phenoxymethyl)-3H-pyrazole-4-carboxylic acid
IUPAC NAME: 5-(phenoxymethyl)-3H-pyrazole-4-carboxylic acid
SYSTEMATIC NAME: 5-(phenoxymethyl)-3H-pyrazole-4-carboxylic acid
MOLECULAR FORMULA: C11H10N2O3
MOLECULAR WEIGHT: 218.2087
SMILES: C1C(=C(N=N1)COC2=CC=CC=C2)C(=O)O
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Product OPENEYE NAME: 3-methyl-5-(phenoxymethyl)-3H-pyrazole-4-carboxylic acid
CAS Name: 3-methyl-5-(phenoxymethyl)-3H-pyrazole-4-carboxylic acid
IUPAC NAME: 3-methyl-5-(phenoxymethyl)-3H-pyrazole-4-carboxylic acid
SYSTEMATIC NAME: 3-methyl-5-(phenoxymethyl)-3H-pyrazole-4-carboxylic acid
MOLECULAR FORMULA: C12H12N2O3
MOLECULAR WEIGHT: 232.23528
SMILES: CC1C(=C(N=N1)COC2=CC=CC=C2)C(=O)O
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Product OPENEYE NAME: 1,4-dihydro-[1]benzoxepino[3,4-c]pyrazol-10-one
CAS Name: 1,4-dihydro-[1]benzoxepino[3,4-c]pyrazol-10-one
IUPAC NAME: 1,4-dihydro-[1]benzoxepino[3,4-c]pyrazol-10-one
SYSTEMATIC NAME: 1,4-dihydro-[1]benzoxepino[3,4-c]pyrazol-10-one
MOLECULAR FORMULA: C11H8N2O2
MOLECULAR WEIGHT: 200.19342
SMILES: C1C2=C(COC3=CC=CC=C3C2=O)N=N1
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Product OPENEYE NAME: 1-methyl-1,4-dihydro-[1]benzoxepino[3,4-c]pyrazol-10-one
CAS Name: 1-methyl-1,4-dihydro-[1]benzoxepino[3,4-c]pyrazol-10-one
IUPAC NAME: 1-methyl-1,4-dihydro-[1]benzoxepino[3,4-c]pyrazol-10-one
SYSTEMATIC NAME: 1-methyl-1,4-dihydro-[1]benzoxepino[3,4-c]pyrazol-10-one
MOLECULAR FORMULA: C12H10N2O2
MOLECULAR WEIGHT: 214.22
SMILES: CC1C2=C(COC3=CC=CC=C3C2=O)N=N1
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Product OPENEYE NAME: 2-benzyl-4H-[1]benzoxepino[3,4-c]pyrazol-10-one
CAS Name: 2-(phenylmethyl)-4H-[1]benzoxepino[3,4-c]pyrazol-10-one
IUPAC NAME: 2-benzyl-4H-[1]benzoxepino[3,4-c]pyrazol-10-one
SYSTEMATIC NAME: 2-(phenylmethyl)-4H-[1]benzoxepino[3,4-c]pyrazol-10-one
MOLECULAR FORMULA: C18H14N2O2
MOLECULAR WEIGHT: 290.31596
SMILES: C1C2=NN(C=C2C(=O)C3=CC=CC=C3O1)CC4=CC=CC=C4
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Product OPENEYE NAME: (4S,5S)-4-acetyl-5-phenyl-tetrahydrofuran-2-one
CAS Name: (4S,5S)-4-acetyl-5-phenyl-2-oxolanone
IUPAC NAME: (4S,5S)-4-acetyl-5-phenyloxolan-2-one
SYSTEMATIC NAME: (4S,5S)-4-ethanoyl-5-phenyl-oxolan-2-one
MOLECULAR FORMULA: C12H12O3
MOLECULAR WEIGHT: 204.22188
SMILES: CC(=O)[C@H]1CC(=O)O[C@@H]1C2=CC=CC=C2
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Product OPENEYE NAME: (4S,5S)-4-acetyl-5-(2-chlorophenyl)tetrahydrofuran-2-one
CAS Name: (4S,5S)-4-acetyl-5-(2-chlorophenyl)-2-oxolanone
IUPAC NAME: (4S,5S)-4-acetyl-5-(2-chlorophenyl)oxolan-2-one
SYSTEMATIC NAME: (4S,5S)-5-(2-chlorophenyl)-4-ethanoyl-oxolan-2-one
MOLECULAR FORMULA: C12H11ClO3
MOLECULAR WEIGHT: 238.66694
SMILES: CC(=O)[C@H]1CC(=O)O[C@@H]1C2=CC=CC=C2Cl
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Product OPENEYE NAME: (4S,5S)-4-acetyl-5-(2-fluorophenyl)tetrahydrofuran-2-one
CAS Name: (4S,5S)-4-acetyl-5-(2-fluorophenyl)-2-oxolanone
IUPAC NAME: (4S,5S)-4-acetyl-5-(2-fluorophenyl)oxolan-2-one
SYSTEMATIC NAME: (4S,5S)-4-ethanoyl-5-(2-fluorophenyl)oxolan-2-one
MOLECULAR FORMULA: C12H11FO3
MOLECULAR WEIGHT: 222.212343
SMILES: CC(=O)[C@H]1CC(=O)O[C@@H]1C2=CC=CC=C2F
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Product OPENEYE NAME: (4S,5S)-4-acetyl-5-(2-nitrophenyl)tetrahydrofuran-2-one
CAS Name: (4S,5S)-4-acetyl-5-(2-nitrophenyl)-2-oxolanone
IUPAC NAME: (4S,5S)-4-acetyl-5-(2-nitrophenyl)oxolan-2-one
SYSTEMATIC NAME: (4S,5S)-4-ethanoyl-5-(2-nitrophenyl)oxolan-2-one
MOLECULAR FORMULA: C12H11NO5
MOLECULAR WEIGHT: 249.21944
SMILES: CC(=O)[C@H]1CC(=O)O[C@@H]1C2=CC=CC=C2[N+](=O)[O-]
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Product OPENEYE NAME: (4S,5S)-4-acetyl-5-(3-chlorophenyl)tetrahydrofuran-2-one
CAS Name: (4S,5S)-4-acetyl-5-(3-chlorophenyl)-2-oxolanone
IUPAC NAME: (4S,5S)-4-acetyl-5-(3-chlorophenyl)oxolan-2-one
SYSTEMATIC NAME: (4S,5S)-5-(3-chlorophenyl)-4-ethanoyl-oxolan-2-one
MOLECULAR FORMULA: C12H11ClO3
MOLECULAR WEIGHT: 238.66694
SMILES: CC(=O)[C@H]1CC(=O)O[C@@H]1C2=CC(=CC=C2)Cl
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Product OPENEYE NAME: (4S,5S)-4-acetyl-5-(3-nitrophenyl)tetrahydrofuran-2-one
CAS Name: (4S,5S)-4-acetyl-5-(3-nitrophenyl)-2-oxolanone
IUPAC NAME: (4S,5S)-4-acetyl-5-(3-nitrophenyl)oxolan-2-one
SYSTEMATIC NAME: (4S,5S)-4-ethanoyl-5-(3-nitrophenyl)oxolan-2-one
MOLECULAR FORMULA: C12H11NO5
MOLECULAR WEIGHT: 249.21944
SMILES: CC(=O)[C@H]1CC(=O)O[C@@H]1C2=CC(=CC=C2)[N+](=O)[O-]
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Product OPENEYE NAME: (4S,5S)-4-acetyl-5-[3-(trifluoromethyl)phenyl]tetrahydrofuran-2-one
CAS Name: (4S,5S)-4-acetyl-5-[3-(trifluoromethyl)phenyl]-2-oxolanone
IUPAC NAME: (4S,5S)-4-acetyl-5-[3-(trifluoromethyl)phenyl]oxolan-2-one
SYSTEMATIC NAME: (4S,5S)-4-ethanoyl-5-[3-(trifluoromethyl)phenyl]oxolan-2-one
MOLECULAR FORMULA: C13H11F3O3
MOLECULAR WEIGHT: 272.21985
SMILES: CC(=O)[C@H]1CC(=O)O[C@@H]1C2=CC(=CC=C2)C(F)(F)F
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Product OPENEYE NAME: (4S,5S)-4-acetyl-5-(4-chlorophenyl)tetrahydrofuran-2-one
CAS Name: (4S,5S)-4-acetyl-5-(4-chlorophenyl)-2-oxolanone
IUPAC NAME: (4S,5S)-4-acetyl-5-(4-chlorophenyl)oxolan-2-one
SYSTEMATIC NAME: (4S,5S)-5-(4-chlorophenyl)-4-ethanoyl-oxolan-2-one
MOLECULAR FORMULA: C12H11ClO3
MOLECULAR WEIGHT: 238.66694
SMILES: CC(=O)[C@H]1CC(=O)O[C@@H]1C2=CC=C(C=C2)Cl
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Product OPENEYE NAME: (4S,5S)-4-acetyl-5-(4-fluorophenyl)tetrahydrofuran-2-one
CAS Name: (4S,5S)-4-acetyl-5-(4-fluorophenyl)-2-oxolanone
IUPAC NAME: (4S,5S)-4-acetyl-5-(4-fluorophenyl)oxolan-2-one
SYSTEMATIC NAME: (4S,5S)-4-ethanoyl-5-(4-fluorophenyl)oxolan-2-one
MOLECULAR FORMULA: C12H11FO3
MOLECULAR WEIGHT: 222.212343
SMILES: CC(=O)[C@H]1CC(=O)O[C@@H]1C2=CC=C(C=C2)F
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