Thursday, August 8, 2013

All Chemical Compounds Information




Product OPENEYE NAME: 1-(dimethylsulfamoylamino)-3-[(E)-N-methoxy-C-phenyl-carbonimidoyl]benzene
CAS Name: 1-(dimethylsulfamoylamino)-3-[(E)-methoxyimino(phenyl)methyl]benzene
IUPAC NAME: 1-(dimethylsulfamoylamino)-3-[(E)-N-methoxy-C-phenylcarbonimidoyl]benzene
SYSTEMATIC NAME: 1-(dimethylsulfamoylamino)-3-[(E)-N-methoxy-C-phenyl-carbonimidoyl]benzene
MOLECULAR FORMULA: C16H19N3O3S
MOLECULAR WEIGHT: 333.40536
SMILES: CN(C)S(=O)(=O)NC1=CC=CC(=C1)/C(=N/OC)/C2=CC=CC=C2
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Product OPENEYE NAME: 1-(benzenecarboximidoyl)-3-(sulfinatoamino)benzene
CAS Name: 1-[imino(phenyl)methyl]-3-(sulfinatoamino)benzene
IUPAC NAME: 1-(benzenecarboximidoyl)-3-(sulfinatoamino)benzene
SYSTEMATIC NAME: 1-(C-phenylcarbonimidoyl)-3-(sulfinatoamino)benzene
MOLECULAR FORMULA: C13H11N2O2S-
MOLECULAR WEIGHT: 259.30364
SMILES: C1=CC=C(C=C1)C(=N)C2=CC(=CC=C2)NS(=O)[O-]
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Product OPENEYE NAME: 1-(benzenecarboximidoyl)-3-(sulfinoamino)benzene
CAS Name: 1-[imino(phenyl)methyl]-3-(sulfinoamino)benzene
IUPAC NAME: 1-(benzenecarboximidoyl)-3-(sulfinoamino)benzene
SYSTEMATIC NAME: 1-(C-phenylcarbonimidoyl)-3-(sulfinoamino)benzene
MOLECULAR FORMULA: C13H12N2O2S
MOLECULAR WEIGHT: 260.31158
SMILES: C1=CC=C(C=C1)C(=N)C2=CC(=CC=C2)NS(=O)O
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Product OPENEYE NAME: [(Z)-[[3-(dimethylsulfamoylamino)phenyl]-(4-methoxyphenyl)methylene]amino] acetate
CAS Name: acetic acid [(Z)-[[3-(dimethylsulfamoylamino)phenyl]-(4-methoxyphenyl)methylidene]amino] ester
IUPAC NAME: [(Z)-[[3-(dimethylsulfamoylamino)phenyl]-(4-methoxyphenyl)methylidene]amino] acetate
SYSTEMATIC NAME: [(Z)-[[3-(dimethylsulfamoylamino)phenyl]-(4-methoxyphenyl)methylidene]amino] ethanoate
MOLECULAR FORMULA: C18H21N3O5S
MOLECULAR WEIGHT: 391.44144
SMILES: CC(=O)O/N=C(/C1=CC=C(C=C1)OC)\C2=CC(=CC=C2)NS(=O)(=O)N(C)C
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Product OPENEYE NAME: 1-(dimethylsulfamoylamino)-3-[(Z)-N-hydroxy-C-(3-methoxyphenyl)carbonimidoyl]benzene
CAS Name: 1-(dimethylsulfamoylamino)-3-[(Z)-hydroxyimino-(3-methoxyphenyl)methyl]benzene
IUPAC NAME: 1-(dimethylsulfamoylamino)-3-[(Z)-N-hydroxy-C-(3-methoxyphenyl)carbonimidoyl]benzene
SYSTEMATIC NAME: 1-(dimethylsulfamoylamino)-3-[(Z)-C-(3-methoxyphenyl)-N-oxidanyl-carbonimidoyl]benzene
MOLECULAR FORMULA: C16H19N3O4S
MOLECULAR WEIGHT: 349.40476
SMILES: CN(C)S(=O)(=O)NC1=CC=CC(=C1)/C(=N/O)/C2=CC(=CC=C2)OC
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Product OPENEYE NAME: 1-[(E)-C-[3-(dimethylsulfamoylamino)phenyl]-N-hydroxy-carbonimidoyl]-2-methyl-benzene
CAS Name: 1-[(E)-[3-(dimethylsulfamoylamino)phenyl]-hydroxyiminomethyl]-2-methylbenzene
IUPAC NAME: 1-[(E)-C-[3-(dimethylsulfamoylamino)phenyl]-N-hydroxycarbonimidoyl]-2-methylbenzene
SYSTEMATIC NAME: 1-[(E)-C-[3-(dimethylsulfamoylamino)phenyl]-N-oxidanyl-carbonimidoyl]-2-methyl-benzene
MOLECULAR FORMULA: C16H19N3O3S
MOLECULAR WEIGHT: 333.40536
SMILES: CC1=CC=CC=C1/C(=N/O)/C2=CC(=CC=C2)NS(=O)(=O)N(C)C
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Product OPENEYE NAME: 1-[(Z)-C-[3-(dimethylsulfamoylamino)phenyl]-N-hydroxy-carbonimidoyl]-2-methoxy-benzene
CAS Name: 1-[(Z)-[3-(dimethylsulfamoylamino)phenyl]-hydroxyiminomethyl]-2-methoxybenzene
IUPAC NAME: 1-[(Z)-C-[3-(dimethylsulfamoylamino)phenyl]-N-hydroxycarbonimidoyl]-2-methoxybenzene
SYSTEMATIC NAME: 1-[(Z)-C-[3-(dimethylsulfamoylamino)phenyl]-N-oxidanyl-carbonimidoyl]-2-methoxy-benzene
MOLECULAR FORMULA: C16H19N3O4S
MOLECULAR WEIGHT: 349.40476
SMILES: CN(C)S(=O)(=O)NC1=CC=CC(=C1)/C(=N/O)/C2=CC=CC=C2OC
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Product OPENEYE NAME: 2-acetyl-4-nitro-3-[2-(trifluoromethyl)phenyl]pentanedioic acid
CAS Name: 2-acetyl-4-nitro-3-[2-(trifluoromethyl)phenyl]pentanedioic acid
IUPAC NAME: 2-acetyl-4-nitro-3-[2-(trifluoromethyl)phenyl]pentanedioic acid
SYSTEMATIC NAME: 2-ethanoyl-4-nitro-3-[2-(trifluoromethyl)phenyl]pentanedioic acid
MOLECULAR FORMULA: C14H12F3NO7
MOLECULAR WEIGHT: 363.24279
SMILES: CC(=O)C(C(C1=CC=CC=C1C(F)(F)F)C(C(=O)O)[N+](=O)[O-])C(=O)O
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Product OPENEYE NAME: diethyl 6-methyl-1-(2-morpholinoethyl)-4-(2-nitrophenyl)-4H-pyridazine-3,5-dicarboxylate
CAS Name: 6-methyl-1-[2-(4-morpholinyl)ethyl]-4-(2-nitrophenyl)-4H-pyridazine-3,5-dicarboxylic acid diethyl ester
IUPAC NAME: diethyl 6-methyl-1-(2-morpholin-4-ylethyl)-4-(2-nitrophenyl)-4H-pyridazine-3,5-dicarboxylate
SYSTEMATIC NAME: diethyl 6-methyl-1-(2-morpholin-4-ylethyl)-4-(2-nitrophenyl)-4H-pyridazine-3,5-dicarboxylate
MOLECULAR FORMULA: C23H30N4O7
MOLECULAR WEIGHT: 474.5069
SMILES: CCOC(=O)C1=C(N(N=C(C1C2=CC=CC=C2[N+](=O)[O-])C(=O)OCC)CCN3CCOCC3)C
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Product OPENEYE NAME: 2-acetyl-4-oxo-3-[2-(trifluoromethyl)phenyl]pentanedioic acid
CAS Name: 2-acetyl-4-oxo-3-[2-(trifluoromethyl)phenyl]pentanedioic acid
IUPAC NAME: 2-acetyl-4-oxo-3-[2-(trifluoromethyl)phenyl]pentanedioic acid
SYSTEMATIC NAME: 2-ethanoyl-4-oxidanylidene-3-[2-(trifluoromethyl)phenyl]pentanedioic acid
MOLECULAR FORMULA: C14H11F3O6
MOLECULAR WEIGHT: 332.22875
SMILES: CC(=O)C(C(C1=CC=CC=C1C(F)(F)F)C(=O)C(=O)O)C(=O)O
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Product OPENEYE NAME: diethyl 6-methyl-4-(2-nitrophenyl)-1,4-dihydropyridazine-3,5-dicarboxylate
CAS Name: 6-methyl-4-(2-nitrophenyl)-1,4-dihydropyridazine-3,5-dicarboxylic acid diethyl ester
IUPAC NAME: diethyl 6-methyl-4-(2-nitrophenyl)-1,4-dihydropyridazine-3,5-dicarboxylate
SYSTEMATIC NAME: diethyl 6-methyl-4-(2-nitrophenyl)-1,4-dihydropyridazine-3,5-dicarboxylate
MOLECULAR FORMULA: C17H19N3O6
MOLECULAR WEIGHT: 361.34926
SMILES: CCOC(=O)C1=C(NN=C(C1C2=CC=CC=C2[N+](=O)[O-])C(=O)OCC)C
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Product OPENEYE NAME: 2-methoxy-N-methyl-aniline; propane
CAS Name: 2-methoxy-N-methylaniline; propane
IUPAC NAME: 2-methoxy-N-methylaniline; propane
SYSTEMATIC NAME: 2-methoxy-N-methyl-aniline; propane
MOLECULAR FORMULA: C11H19NO
MOLECULAR WEIGHT: 181.27466
SMILES: CCC.CNC1=CC=CC=C1OC
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Product OPENEYE NAME: N-methyl-N-propyl-3-(trifluoromethyl)aniline
CAS Name: N-methyl-N-propyl-3-(trifluoromethyl)aniline
IUPAC NAME: N-methyl-N-propyl-3-(trifluoromethyl)aniline
SYSTEMATIC NAME: N-methyl-N-propyl-3-(trifluoromethyl)aniline
MOLECULAR FORMULA: C11H14F3N
MOLECULAR WEIGHT: 217.23077
SMILES: CCCN(C)C1=CC=CC(=C1)C(F)(F)F
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Product OPENEYE NAME: 2-bromo-1-imidazol-1-yl-ethanone
CAS Name: 2-bromo-1-(1-imidazolyl)ethanone
IUPAC NAME: 2-bromo-1-imidazol-1-ylethanone
SYSTEMATIC NAME: 2-bromanyl-1-imidazol-1-yl-ethanone
MOLECULAR FORMULA: C5H5BrN2O
MOLECULAR WEIGHT: 189.01
SMILES: C1=CN(C=N1)C(=O)CBr
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Product OPENEYE NAME: cumene; ethanamine
CAS Name: cumene; ethanamine
IUPAC NAME: cumene; ethanamine
SYSTEMATIC NAME: ethanamine; propan-2-ylbenzene
MOLECULAR FORMULA: C11H19N
MOLECULAR WEIGHT: 165.27526
SMILES: CCN.CC(C)C1=CC=CC=C1
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Product OPENEYE NAME: ammonia; 3-isopropylpyridine
CAS Name: ammonia; 3-propan-2-ylpyridine
IUPAC NAME: azane; 3-propan-2-ylpyridine
SYSTEMATIC NAME: azane; 3-propan-2-ylpyridine
MOLECULAR FORMULA: C8H14N2
MOLECULAR WEIGHT: 138.21016
SMILES: CC(C)C1=CN=CC=C1.N
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Product OPENEYE NAME: 3,4-dihydroquinolin-5-ol
CAS Name: 3,4-dihydroquinolin-5-ol
IUPAC NAME: 3,4-dihydroquinolin-5-ol
SYSTEMATIC NAME: 3,4-dihydroquinolin-5-ol
MOLECULAR FORMULA: C9H9NO
MOLECULAR WEIGHT: 147.17386
SMILES: C1CC2=C(C=CC=C2O)N=C1
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