Saturday, June 29, 2013

All Chemical Compounds Information




Product OPENEYE NAME: 4-[4-nitro-2-(trifluoromethyl)phenyl]-3-(trifluoromethyl)benzonitrile
CAS Name: 4-[4-nitro-2-(trifluoromethyl)phenyl]-3-(trifluoromethyl)benzonitrile
IUPAC NAME: 4-[4-nitro-2-(trifluoromethyl)phenyl]-3-(trifluoromethyl)benzonitrile
SYSTEMATIC NAME: 4-[4-nitro-2-(trifluoromethyl)phenyl]-3-(trifluoromethyl)benzenecarbonitrile
MOLECULAR FORMULA: C15H6F6N2O2
MOLECULAR WEIGHT: 360.210759
SMILES: C1=CC(=C(C=C1C#N)C(F)(F)F)C2=C(C=C(C=C2)[N+](=O)[O-])C(F)(F)F
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Product OPENEYE NAME: 4-[4-amino-2-(trifluoromethyl)phenyl]-3-(trifluoromethyl)benzoic acid
CAS Name: 4-[4-amino-2-(trifluoromethyl)phenyl]-3-(trifluoromethyl)benzoic acid
IUPAC NAME: 4-[4-amino-2-(trifluoromethyl)phenyl]-3-(trifluoromethyl)benzoic acid
SYSTEMATIC NAME: 4-[4-azanyl-2-(trifluoromethyl)phenyl]-3-(trifluoromethyl)benzoic acid
MOLECULAR FORMULA: C15H9F6NO2
MOLECULAR WEIGHT: 349.227879
SMILES: C1=CC(=C(C=C1C(=O)O)C(F)(F)F)C2=C(C=C(C=C2)N)C(F)(F)F
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Product OPENEYE NAME: methyl 3-methoxy-4-[(E)-2-(4-nitrophenyl)vinyl]benzoate
CAS Name: 3-methoxy-4-[(E)-2-(4-nitrophenyl)ethenyl]benzoic acid methyl ester
IUPAC NAME: methyl 3-methoxy-4-[(E)-2-(4-nitrophenyl)ethenyl]benzoate
SYSTEMATIC NAME: methyl 3-methoxy-4-[(E)-2-(4-nitrophenyl)ethenyl]benzoate
MOLECULAR FORMULA: C17H15NO5
MOLECULAR WEIGHT: 313.3047
SMILES: COC1=C(C=CC(=C1)C(=O)OC)/C=C/C2=CC=C(C=C2)[N+](=O)[O-]
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Product OPENEYE NAME: methyl 4-(bromomethyl)-3-methoxy-benzoate; triphenylphosphonium
CAS Name: 4-(bromomethyl)-3-methoxybenzoic acid methyl ester; triphenylphosphonium
IUPAC NAME: methyl 4-(bromomethyl)-3-methoxybenzoate; triphenylphosphanium
SYSTEMATIC NAME: methyl 4-(bromomethyl)-3-methoxy-benzoate; triphenylphosphanium
MOLECULAR FORMULA: C28H27BrO3P+
MOLECULAR WEIGHT: 522.389941
SMILES: COC1=C(C=CC(=C1)C(=O)OC)CBr.C1=CC=C(C=C1)[PH+](C2=CC=CC=C2)C3=CC=CC=C3
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Product OPENEYE NAME: 4-[4-nitro-2-(trifluoromethyl)phenyl]-3-(trifluoromethyl)benzoic acid
CAS Name: 4-[4-nitro-2-(trifluoromethyl)phenyl]-3-(trifluoromethyl)benzoic acid
IUPAC NAME: 4-[4-nitro-2-(trifluoromethyl)phenyl]-3-(trifluoromethyl)benzoic acid
SYSTEMATIC NAME: 4-[4-nitro-2-(trifluoromethyl)phenyl]-3-(trifluoromethyl)benzoic acid
MOLECULAR FORMULA: C15H7F6NO4
MOLECULAR WEIGHT: 379.210799
SMILES: C1=CC(=C(C=C1C(=O)O)C(F)(F)F)C2=C(C=C(C=C2)[N+](=O)[O-])C(F)(F)F
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Product OPENEYE NAME: difluoro 3,4,5,6,7,8-hexafluorobiphenylene-1,2-dicarboxylate
CAS Name: 3,4,5,6,7,8-hexafluorobiphenylene-1,2-dicarboxylic acid difluoro ester
IUPAC NAME: difluoro 3,4,5,6,7,8-hexafluorobiphenylene-1,2-dicarboxylate
SYSTEMATIC NAME: bis(fluoranyl) 3,4,5,6,7,8-hexakis(fluoranyl)biphenylene-1,2-dicarboxylate
MOLECULAR FORMULA: C14F8O4
MOLECULAR WEIGHT: 384.134626
SMILES: C12=C(C3=C1C(=C(C(=C3F)F)F)F)C(=C(C(=C2C(=O)OF)C(=O)OF)F)F
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Product OPENEYE NAME: 1-amino-3-(trifluoromethyl)-4-[2-(trifluoromethyl)phenyl]cyclohexa-2,5-diene-1-carboxylic acid
CAS Name: 1-amino-3-(trifluoromethyl)-4-[2-(trifluoromethyl)phenyl]-1-cyclohexa-2,5-dienecarboxylic acid
IUPAC NAME: 1-amino-3-(trifluoromethyl)-4-[2-(trifluoromethyl)phenyl]cyclohexa-2,5-diene-1-carboxylic acid
SYSTEMATIC NAME: 1-azanyl-3-(trifluoromethyl)-4-[2-(trifluoromethyl)phenyl]cyclohexa-2,5-diene-1-carboxylic acid
MOLECULAR FORMULA: C15H11F6NO2
MOLECULAR WEIGHT: 351.243759
SMILES: C1=CC=C(C(=C1)C2C=CC(C=C2C(F)(F)F)(C(=O)O)N)C(F)(F)F
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Product OPENEYE NAME: 4-[(E)-2-(4-aminophenyl)vinyl]-3-methoxy-benzoic acid
CAS Name: 4-[(E)-2-(4-aminophenyl)ethenyl]-3-methoxybenzoic acid
IUPAC NAME: 4-[(E)-2-(4-aminophenyl)ethenyl]-3-methoxybenzoic acid
SYSTEMATIC NAME: 4-[(E)-2-(4-aminophenyl)ethenyl]-3-methoxy-benzoic acid
MOLECULAR FORMULA: C16H15NO3
MOLECULAR WEIGHT: 269.2952
SMILES: COC1=C(C=CC(=C1)C(=O)O)/C=C/C2=CC=C(C=C2)N
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Product OPENEYE NAME: (2E,4E)-hexa-2,4-dienedihydrazide
CAS Name: (2E,4E)-hexa-2,4-dienedihydrazide
IUPAC NAME: (2E,4E)-hexa-2,4-dienedihydrazide
SYSTEMATIC NAME: (2E,4E)-hexa-2,4-dienedihydrazide
MOLECULAR FORMULA: C6H10N4O2
MOLECULAR WEIGHT: 170.1692
SMILES: C(=C/C(=O)NN)\C=C\C(=O)NN
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Product OPENEYE NAME: 1-[1,3-di(prop-2-enoyl)triazinan-5-yl]-2-methyl-prop-2-en-1-one
CAS Name: 1-[1,3-bis(1-oxoprop-2-enyl)-5-triazinanyl]-2-methyl-2-propen-1-one
IUPAC NAME: 1-[1,3-di(prop-2-enoyl)triazinan-5-yl]-2-methylprop-2-en-1-one
SYSTEMATIC NAME: 1-[1,3-di(prop-2-enoyl)-1,2,3-triazinan-5-yl]-2-methyl-prop-2-en-1-one
MOLECULAR FORMULA: C13H17N3O3
MOLECULAR WEIGHT: 263.29238
SMILES: CC(=C)C(=O)C1CN(NN(C1)C(=O)C=C)C(=O)C=C
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Product OPENEYE NAME: 2-methyl-1-[1-(2-methylprop-2-enoyl)-3-prop-2-enoyl-triazinan-5-yl]prop-2-en-1-one
CAS Name: 2-methyl-1-[1-(2-methyl-1-oxoprop-2-enyl)-3-(1-oxoprop-2-enyl)-5-triazinanyl]-2-propen-1-one
IUPAC NAME: 2-methyl-1-[1-(2-methylprop-2-enoyl)-3-prop-2-enoyltriazinan-5-yl]prop-2-en-1-one
SYSTEMATIC NAME: 2-methyl-1-[1-(2-methylprop-2-enoyl)-3-prop-2-enoyl-1,2,3-triazinan-5-yl]prop-2-en-1-one
MOLECULAR FORMULA: C14H19N3O3
MOLECULAR WEIGHT: 277.31896
SMILES: CC(=C)C(=O)C1CN(NN(C1)C(=O)C(=C)C)C(=O)C=C
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Product OPENEYE NAME: 1-pentyl-2-[2-(4-phenylpiperazin-1-yl)ethyl]benzo[e]benzimidazole
CAS Name: 1-pentyl-2-[2-(4-phenyl-1-piperazinyl)ethyl]benzo[e]benzimidazole
IUPAC NAME: 1-pentyl-2-[2-(4-phenylpiperazin-1-yl)ethyl]benzo[e]benzimidazole
SYSTEMATIC NAME: 1-pentyl-2-[2-(4-phenylpiperazin-1-yl)ethyl]benzo[e]benzimidazole
MOLECULAR FORMULA: C28H34N4
MOLECULAR WEIGHT: 426.59636
SMILES: CCCCCN1C(=NC2=C1C3=CC=CC=C3C=C2)CCN4CCN(CC4)C5=CC=CC=C5
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Product OPENEYE NAME: N-(2-naphthyl)hydroxylamine hydrochloride
CAS Name: N-(2-naphthalenyl)hydroxylamine hydrochloride
IUPAC NAME: N-naphthalen-2-ylhydroxylamine hydrochloride
SYSTEMATIC NAME: N-naphthalen-2-ylhydroxylamine hydrochloride
MOLECULAR FORMULA: C10H10ClNO
MOLECULAR WEIGHT: 195.6455
SMILES: C1=CC=C2C=C(C=CC2=C1)NO.Cl
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Product OPENEYE NAME: 2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1-methyl-benzo[e]benzimidazole hydrate
CAS Name: 2-[2-[4-(2-methoxyphenyl)-1-piperazinyl]ethyl]-1-methylbenzo[e]benzimidazole hydrate
IUPAC NAME: 2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1-methylbenzo[e]benzimidazole hydrate
SYSTEMATIC NAME: 2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1-methyl-benzo[e]benzimidazole hydrate
MOLECULAR FORMULA: C25H30N4O2
MOLECULAR WEIGHT: 418.5313
SMILES: CN1C(=NC2=C1C3=CC=CC=C3C=C2)CCN4CCN(CC4)C5=CC=CC=C5OC.O
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Product OPENEYE NAME: N-(1-amino-2-naphthyl)-3-chloro-N-methyl-propanamide
CAS Name: N-(1-amino-2-naphthalenyl)-3-chloro-N-methylpropanamide
IUPAC NAME: N-(1-aminonaphthalen-2-yl)-3-chloro-N-methylpropanamide
SYSTEMATIC NAME: N-(1-azanylnaphthalen-2-yl)-3-chloranyl-N-methyl-propanamide
MOLECULAR FORMULA: C14H15ClN2O
MOLECULAR WEIGHT: 262.7347
SMILES: CN(C1=C(C2=CC=CC=C2C=C1)N)C(=O)CCCl
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Product OPENEYE NAME: 2-[2-(4-cyclopentylpiperazin-1-yl)ethyl]-1-methyl-benzo[e]benzimidazole
CAS Name: 2-[2-(4-cyclopentyl-1-piperazinyl)ethyl]-1-methylbenzo[e]benzimidazole
IUPAC NAME: 2-[2-(4-cyclopentylpiperazin-1-yl)ethyl]-1-methylbenzo[e]benzimidazole
SYSTEMATIC NAME: 2-[2-(4-cyclopentylpiperazin-1-yl)ethyl]-1-methyl-benzo[e]benzimidazole
MOLECULAR FORMULA: C23H30N4
MOLECULAR WEIGHT: 362.5111
SMILES: CN1C(=NC2=C1C3=CC=CC=C3C=C2)CCN4CCN(CC4)C5CCCC5
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