Friday, September 28, 2012

All Chemical Compounds Information




Product OPENEYE NAME: (Z)-benzylidene-[(Z)-2-carboxy-1-nitro-1,3-diphenyl-allyl]-(6-hydroxyhexoxy)ammonium
CAS Name: (Z)-[(Z)-2-carboxy-1-nitro-1,3-diphenylprop-2-enyl]-(6-hydroxyhexoxy)-(phenylmethylene)ammonium
IUPAC NAME: (Z)-benzylidene-[(Z)-2-carboxy-1-nitro-1,3-diphenylprop-2-enyl]-(6-hydroxyhexoxy)azanium
SYSTEMATIC NAME: (Z)-[(Z)-2-carboxy-1-nitro-1,3-diphenyl-prop-2-enyl]-(6-oxidanylhexoxy)-(phenylmethylidene)azanium
MOLECULAR FORMULA: C29H31N2O6+
MOLECULAR WEIGHT: 503.56624
SMILES: C1=CC=C(C=C1)/C=C(\C(=O)O)/C(C2=CC=CC=C2)(/[N+](=C/C3=CC=CC=C3)/OCCCCCCO)[N+](=O)[O-]
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Product OPENEYE NAME: (Z)-benzylidene-[8-(2-methylprop-2-enoyloxy)octoxy]-[1-nitro-4-[(E)-styryl]cyclohexa-2,4-dien-1-yl]ammonium
CAS Name: (Z)-8-(2-methyl-1-oxoprop-2-enoxy)octoxy-[1-nitro-4-[(E)-2-phenylethenyl]-1-cyclohexa-2,4-dienyl]-(phenylmethylene)ammonium
IUPAC NAME: (Z)-benzylidene-[8-(2-methylprop-2-enoyloxy)octoxy]-[1-nitro-4-[(E)-2-phenylethenyl]cyclohexa-2,4-dien-1-yl]azanium
SYSTEMATIC NAME: (Z)-8-(2-methylprop-2-enoyloxy)octoxy-[1-nitro-4-[(E)-2-phenylethenyl]cyclohexa-2,4-dien-1-yl]-(phenylmethylidene)azanium
MOLECULAR FORMULA: C33H39N2O5+
MOLECULAR WEIGHT: 543.67316
SMILES: CC(=C)C(=O)OCCCCCCCCO/[N+](=C\C1=CC=CC=C1)/C2(CC=C(C=C2)/C=C/C3=CC=CC=C3)[N+](=O)[O-]
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Product OPENEYE NAME: tris[4-(4,4,4-trifluoro-3-oxo-butyl)phenyl] phosphate
CAS Name: phosphoric acid tris[4-(4,4,4-trifluoro-3-oxobutyl)phenyl] ester
IUPAC NAME: tris[4-(4,4,4-trifluoro-3-oxobutyl)phenyl] phosphate
SYSTEMATIC NAME: tris[4-[4,4,4-tris(fluoranyl)-3-oxidanylidene-butyl]phenyl] phosphate
MOLECULAR FORMULA: C30H24F9O7P
MOLECULAR WEIGHT: 698.46675
SMILES: C1=CC(=CC=C1CCC(=O)C(F)(F)F)OP(=O)(OC2=CC=C(C=C2)CCC(=O)C(F)(F)F)OC3=CC=C(C=C3)CCC(=O)C(F)(F)F
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Product OPENEYE NAME: 4,4-diamino-6,6-diethoxy-N-phenyl-cyclohex-2-ene-1-carboxamide
CAS Name: 4,4-diamino-6,6-diethoxy-N-phenyl-1-cyclohex-2-enecarboxamide
IUPAC NAME: 4,4-diamino-6,6-diethoxy-N-phenylcyclohex-2-ene-1-carboxamide
SYSTEMATIC NAME: 4,4-bis(azanyl)-6,6-diethoxy-N-phenyl-cyclohex-2-ene-1-carboxamide
MOLECULAR FORMULA: C17H25N3O3
MOLECULAR WEIGHT: 319.3987
SMILES: CCOC1(CC(C=CC1C(=O)NC2=CC=CC=C2)(N)N)OCC
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Product OPENEYE NAME: 4,5-diamino-6-ethoxy-6-methoxy-N-phenyl-cyclohexa-2,4-diene-1-carboxamide
CAS Name: 4,5-diamino-6-ethoxy-6-methoxy-N-phenyl-1-cyclohexa-2,4-dienecarboxamide
IUPAC NAME: 4,5-diamino-6-ethoxy-6-methoxy-N-phenylcyclohexa-2,4-diene-1-carboxamide
SYSTEMATIC NAME: 4,5-bis(azanyl)-6-ethoxy-6-methoxy-N-phenyl-cyclohexa-2,4-diene-1-carboxamide
MOLECULAR FORMULA: C16H21N3O3
MOLECULAR WEIGHT: 303.35624
SMILES: CCOC1(C(C=CC(=C1N)N)C(=O)NC2=CC=CC=C2)OC
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Product OPENEYE NAME: 4,4-diamino-2,6-diethoxy-N-phenyl-cyclohexa-2,5-diene-1-carboxamide
CAS Name: 4,4-diamino-2,6-diethoxy-N-phenyl-1-cyclohexa-2,5-dienecarboxamide
IUPAC NAME: 4,4-diamino-2,6-diethoxy-N-phenylcyclohexa-2,5-diene-1-carboxamide
SYSTEMATIC NAME: 4,4-bis(azanyl)-2,6-diethoxy-N-phenyl-cyclohexa-2,5-diene-1-carboxamide
MOLECULAR FORMULA: C17H23N3O3
MOLECULAR WEIGHT: 317.38282
SMILES: CCOC1=CC(C=C(C1C(=O)NC2=CC=CC=C2)OCC)(N)N
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Product OPENEYE NAME: 4,5-diamino-2-methoxy-N-phenyl-benzamide
CAS Name: 4,5-diamino-2-methoxy-N-phenylbenzamide
IUPAC NAME: 4,5-diamino-2-methoxy-N-phenylbenzamide
SYSTEMATIC NAME: 4,5-bis(azanyl)-2-methoxy-N-phenyl-benzamide
MOLECULAR FORMULA: C14H15N3O2
MOLECULAR WEIGHT: 257.2878
SMILES: COC1=CC(=C(C=C1C(=O)NC2=CC=CC=C2)N)N
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Product OPENEYE NAME: 4-[2,6-bis(trifluoromethyl)cyclohexa-1,5-dien-1-yl]oxyaniline
CAS Name: 4-[[2,6-bis(trifluoromethyl)-1-cyclohexa-1,5-dienyl]oxy]aniline
IUPAC NAME: 4-[2,6-bis(trifluoromethyl)cyclohexa-1,5-dien-1-yl]oxyaniline
SYSTEMATIC NAME: 4-[2,6-bis(trifluoromethyl)cyclohexa-1,5-dien-1-yl]oxyaniline
MOLECULAR FORMULA: C14H11F6NO
MOLECULAR WEIGHT: 323.233659
SMILES: C1CC(=C(C(=C1)C(F)(F)F)OC2=CC=C(C=C2)N)C(F)(F)F
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Product OPENEYE NAME: 4,4-diamino-2-ethoxy-N-phenyl-cyclohexa-2,5-diene-1-carboxamide
CAS Name: 4,4-diamino-2-ethoxy-N-phenyl-1-cyclohexa-2,5-dienecarboxamide
IUPAC NAME: 4,4-diamino-2-ethoxy-N-phenylcyclohexa-2,5-diene-1-carboxamide
SYSTEMATIC NAME: 4,4-bis(azanyl)-2-ethoxy-N-phenyl-cyclohexa-2,5-diene-1-carboxamide
MOLECULAR FORMULA: C15H19N3O2
MOLECULAR WEIGHT: 273.33026
SMILES: CCOC1=CC(C=CC1C(=O)NC2=CC=CC=C2)(N)N
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Product OPENEYE NAME: 4,4-diamino-N-phenyl-2-propoxy-cyclohexa-2,5-diene-1-carboxamide
CAS Name: 4,4-diamino-N-phenyl-2-propoxy-1-cyclohexa-2,5-dienecarboxamide
IUPAC NAME: 4,4-diamino-N-phenyl-2-propoxycyclohexa-2,5-diene-1-carboxamide
SYSTEMATIC NAME: 4,4-bis(azanyl)-N-phenyl-2-propoxy-cyclohexa-2,5-diene-1-carboxamide
MOLECULAR FORMULA: C16H21N3O2
MOLECULAR WEIGHT: 287.35684
SMILES: CCCOC1=CC(C=CC1C(=O)NC2=CC=CC=C2)(N)N
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Product OPENEYE NAME: 4,4-diamino-6,6-dimethoxy-N-phenyl-cyclohex-2-ene-1-carboxamide
CAS Name: 4,4-diamino-6,6-dimethoxy-N-phenyl-1-cyclohex-2-enecarboxamide
IUPAC NAME: 4,4-diamino-6,6-dimethoxy-N-phenylcyclohex-2-ene-1-carboxamide
SYSTEMATIC NAME: 4,4-bis(azanyl)-6,6-dimethoxy-N-phenyl-cyclohex-2-ene-1-carboxamide
MOLECULAR FORMULA: C15H21N3O3
MOLECULAR WEIGHT: 291.34554
SMILES: COC1(CC(C=CC1C(=O)NC2=CC=CC=C2)(N)N)OC
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Product OPENEYE NAME: 4,5-diamino-6,6-dimethoxy-N-phenyl-cyclohexa-2,4-diene-1-carboxamide
CAS Name: 4,5-diamino-6,6-dimethoxy-N-phenyl-1-cyclohexa-2,4-dienecarboxamide
IUPAC NAME: 4,5-diamino-6,6-dimethoxy-N-phenylcyclohexa-2,4-diene-1-carboxamide
SYSTEMATIC NAME: 4,5-bis(azanyl)-6,6-dimethoxy-N-phenyl-cyclohexa-2,4-diene-1-carboxamide
MOLECULAR FORMULA: C15H19N3O3
MOLECULAR WEIGHT: 289.32966
SMILES: COC1(C(C=CC(=C1N)N)C(=O)NC2=CC=CC=C2)OC
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Product OPENEYE NAME: 4,4-diamino-2,6-dimethoxy-N-phenyl-cyclohexa-2,5-diene-1-carboxamide
CAS Name: 4,4-diamino-2,6-dimethoxy-N-phenyl-1-cyclohexa-2,5-dienecarboxamide
IUPAC NAME: 4,4-diamino-2,6-dimethoxy-N-phenylcyclohexa-2,5-diene-1-carboxamide
SYSTEMATIC NAME: 4,4-bis(azanyl)-2,6-dimethoxy-N-phenyl-cyclohexa-2,5-diene-1-carboxamide
MOLECULAR FORMULA: C15H19N3O3
MOLECULAR WEIGHT: 289.32966
SMILES: COC1=CC(C=C(C1C(=O)NC2=CC=CC=C2)OC)(N)N
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Product OPENEYE NAME: 3,4-diamino-N-phenyl-2-propoxy-benzamide
CAS Name: 3,4-diamino-N-phenyl-2-propoxybenzamide
IUPAC NAME: 3,4-diamino-N-phenyl-2-propoxybenzamide
SYSTEMATIC NAME: 3,4-bis(azanyl)-N-phenyl-2-propoxy-benzamide
MOLECULAR FORMULA: C16H19N3O2
MOLECULAR WEIGHT: 285.34096
SMILES: CCCOC1=C(C=CC(=C1N)N)C(=O)NC2=CC=CC=C2
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Product OPENEYE NAME: 2,4-dihydro-1H-azeto[1,2-a]quinolin-8-ol
CAS Name: 2,4-dihydro-1H-azeto[1,2-a]quinolin-8-ol
IUPAC NAME: 2,4-dihydro-1H-azeto[1,2-a]quinolin-8-ol
SYSTEMATIC NAME: 2,4-dihydro-1H-azeto[1,2-a]quinolin-8-ol
MOLECULAR FORMULA: C11H11NO
MOLECULAR WEIGHT: 173.21114
SMILES: C1CN2C1=CCC3=C2C(=CC=C3)O
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Product OPENEYE NAME: 2-[[2-[2,4-bis(1,1-dimethylpropyl)phenoxy]acetyl]amino]-N-(5-oxopyrazol-3-yl)benzamide
CAS Name: 2-[[2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-1-oxoethyl]amino]-N-(5-oxo-3-pyrazolyl)benzamide
IUPAC NAME: 2-[[2-[2,4-bis(2-methylbutan-2-yl)phenoxy]acetyl]amino]-N-(5-oxopyrazol-3-yl)benzamide
SYSTEMATIC NAME: 2-[2-[2,4-bis(2-methylbutan-2-yl)phenoxy]ethanoylamino]-N-(5-oxidanylidenepyrazol-3-yl)benzamide
MOLECULAR FORMULA: C28H34N4O4
MOLECULAR WEIGHT: 490.59396
SMILES: CCC(C)(C)C1=CC(=C(C=C1)OCC(=O)NC2=CC=CC=C2C(=O)NC3=CC(=O)N=N3)C(C)(C)CC
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Product OPENEYE NAME: 4-ethoxy-2-methylene-butanal
CAS Name: 4-ethoxy-2-methylenebutanal
IUPAC NAME: 4-ethoxy-2-methylidenebutanal
SYSTEMATIC NAME: 4-ethoxy-2-methylidene-butanal
MOLECULAR FORMULA: C7H12O2
MOLECULAR WEIGHT: 128.16898
SMILES: CCOCCC(=C)C=O
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Product OPENEYE NAME: (1E)-N-ethoxyacetimidoyl iodide
CAS Name: (1E)-N-ethoxyethanimidoyl iodide
IUPAC NAME: (1E)-N-ethoxyethanimidoyl iodide
SYSTEMATIC NAME: (1E)-N-ethoxyethanimidoyl iodide
MOLECULAR FORMULA: C4H8INO
MOLECULAR WEIGHT: 213.01689
SMILES: CCO/N=C(\C)/I
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Product OPENEYE NAME: N-ethoxy-1-(1-methylpyridin-1-ium-2-yl)methanimine iodide
CAS Name: N-ethoxy-1-(1-methyl-2-pyridin-1-iumyl)methanimine iodide
IUPAC NAME: N-ethoxy-1-(1-methylpyridin-1-ium-2-yl)methanimine iodide
SYSTEMATIC NAME: N-ethoxy-1-(1-methylpyridin-1-ium-2-yl)methanimine iodide
MOLECULAR FORMULA: C9H13IN2O
MOLECULAR WEIGHT: 292.11679
SMILES: CCO/N=C/C1=CC=CC=[N+]1C.[I-]
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Product OPENEYE NAME: N-ethoxy-1-(1-methylpyridin-1-ium-2-yl)methanimine
CAS Name: N-ethoxy-1-(1-methyl-2-pyridin-1-iumyl)methanimine
IUPAC NAME: N-ethoxy-1-(1-methylpyridin-1-ium-2-yl)methanimine
SYSTEMATIC NAME: N-ethoxy-1-(1-methylpyridin-1-ium-2-yl)methanimine
MOLECULAR FORMULA: C9H13N2O+
MOLECULAR WEIGHT: 165.21232
SMILES: CCO/N=C/C1=CC=CC=[N+]1C
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