Sunday, July 29, 2012

All Chemical Compounds Information




Product OPENEYE NAME: 4-nitro-1-propoxy-benzotriazole
CAS Name: 4-nitro-1-propoxybenzotriazole
IUPAC NAME: 4-nitro-1-propoxybenzotriazole
SYSTEMATIC NAME: 4-nitro-1-propoxy-benzotriazole
MOLECULAR FORMULA: C9H10N4O3
MOLECULAR WEIGHT: 222.2007
SMILES: CCCON1C2=C(C(=CC=C2)[N+](=O)[O-])N=N1
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Product OPENEYE NAME: 1-butoxy-4-nitro-benzotriazole
CAS Name: 1-butoxy-4-nitrobenzotriazole
IUPAC NAME: 1-butoxy-4-nitrobenzotriazole
SYSTEMATIC NAME: 1-butoxy-4-nitro-benzotriazole
MOLECULAR FORMULA: C10H12N4O3
MOLECULAR WEIGHT: 236.22728
SMILES: CCCCON1C2=C(C(=CC=C2)[N+](=O)[O-])N=N1
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Product OPENEYE NAME: 1-(cyclohexoxy)-4-nitro-benzotriazole
CAS Name: 1-cyclohexyloxy-4-nitrobenzotriazole
IUPAC NAME: 1-cyclohexyloxy-4-nitrobenzotriazole
SYSTEMATIC NAME: 1-cyclohexyloxy-4-nitro-benzotriazole
MOLECULAR FORMULA: C12H14N4O3
MOLECULAR WEIGHT: 262.26456
SMILES: C1CCC(CC1)ON2C3=C(C(=CC=C3)[N+](=O)[O-])N=N2
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Product OPENEYE NAME: (3,4-dimethyl-1-oxo-1-phenyl-2,3-dihydro-1$l^{5}-phosphol-5-yl)-diphenyl-phosphane
CAS Name: (3,4-dimethyl-1-oxo-1-phenyl-2,3-dihydro-1$l^{5}-phosphol-5-yl)-diphenylphosphine
IUPAC NAME: (3,4-dimethyl-1-oxo-1-phenyl-2,3-dihydro-1$l^{5}-phosphol-5-yl)-diphenylphosphane
SYSTEMATIC NAME: (3,4-dimethyl-1-oxidanylidene-1-phenyl-2,3-dihydro-1$l^{5}-phosphol-5-yl)-diphenyl-phosphane
MOLECULAR FORMULA: C24H24OP2
MOLECULAR WEIGHT: 390.394282
SMILES: CC1CP(=O)(C(=C1C)P(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4
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Product OPENEYE NAME: (2S,4aR,7aS)-2-(2-chlorophenyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[e][1,3]oxazin-4-one
CAS Name: (2S,4aR,7aS)-2-(2-chlorophenyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[e][1,3]oxazin-4-one
IUPAC NAME: (2S,4aR,7aS)-2-(2-chlorophenyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[e][1,3]oxazin-4-one
SYSTEMATIC NAME: (2S,4aR,7aS)-2-(2-chlorophenyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[e][1,3]oxazin-4-one
MOLECULAR FORMULA: C13H14ClNO2
MOLECULAR WEIGHT: 251.70876
SMILES: C1C[C@@H]2[C@H](C1)O[C@H](NC2=O)C3=CC=CC=C3Cl
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Product OPENEYE NAME: (4aR,8aS)-spiro[4a,5,6,7,8,8a-hexahydro-3H-benzo[e][1,3]oxazine-2,1'-cycloheptane]-4-one
CAS Name: (4aR,8aS)-4-spiro[4a,5,6,7,8,8a-hexahydro-3H-benzo[e][1,3]oxazine-2,1'-cycloheptane]one
IUPAC NAME: (4aR,8aS)-spiro[4a,5,6,7,8,8a-hexahydro-3H-benzo[e][1,3]oxazine-2,1'-cycloheptane]-4-one
SYSTEMATIC NAME: (4aR,8aS)-spiro[4a,5,6,7,8,8a-hexahydro-3H-benzo[e][1,3]oxazine-2,1'-cycloheptane]-4-one
MOLECULAR FORMULA: C14H23NO2
MOLECULAR WEIGHT: 237.33792
SMILES: C1CCCC2(CC1)NC(=O)[C@@H]3CCCC[C@@H]3O2
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Product OPENEYE NAME: (2S,4aR,7aS)-2-(3-chlorophenyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[e][1,3]oxazin-4-one
CAS Name: (2S,4aR,7aS)-2-(3-chlorophenyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[e][1,3]oxazin-4-one
IUPAC NAME: (2S,4aR,7aS)-2-(3-chlorophenyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[e][1,3]oxazin-4-one
SYSTEMATIC NAME: (2S,4aR,7aS)-2-(3-chlorophenyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[e][1,3]oxazin-4-one
MOLECULAR FORMULA: C13H14ClNO2
MOLECULAR WEIGHT: 251.70876
SMILES: C1C[C@@H]2[C@H](C1)O[C@H](NC2=O)C3=CC(=CC=C3)Cl
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Product OPENEYE NAME: (2S,4aR,7aS)-2-(4-chlorophenyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[e][1,3]oxazin-4-one
CAS Name: (2S,4aR,7aS)-2-(4-chlorophenyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[e][1,3]oxazin-4-one
IUPAC NAME: (2S,4aR,7aS)-2-(4-chlorophenyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[e][1,3]oxazin-4-one
SYSTEMATIC NAME: (2S,4aR,7aS)-2-(4-chlorophenyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[e][1,3]oxazin-4-one
MOLECULAR FORMULA: C13H14ClNO2
MOLECULAR WEIGHT: 251.70876
SMILES: C1C[C@@H]2[C@H](C1)O[C@H](NC2=O)C3=CC=C(C=C3)Cl
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Product OPENEYE NAME: (2S,4aR,7aS)-2-(4-chlorophenyl)-3-methyl-2,4a,5,6,7,7a-hexahydrocyclopenta[e][1,3]oxazin-4-one
CAS Name: (2S,4aR,7aS)-2-(4-chlorophenyl)-3-methyl-2,4a,5,6,7,7a-hexahydrocyclopenta[e][1,3]oxazin-4-one
IUPAC NAME: (2S,4aR,7aS)-2-(4-chlorophenyl)-3-methyl-2,4a,5,6,7,7a-hexahydrocyclopenta[e][1,3]oxazin-4-one
SYSTEMATIC NAME: (2S,4aR,7aS)-2-(4-chlorophenyl)-3-methyl-2,4a,5,6,7,7a-hexahydrocyclopenta[e][1,3]oxazin-4-one
MOLECULAR FORMULA: C14H16ClNO2
MOLECULAR WEIGHT: 265.73534
SMILES: CN1[C@@H](O[C@H]2CCC[C@H]2C1=O)C3=CC=C(C=C3)Cl
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Product OPENEYE NAME: (2S,4aR,8aS)-2-(4-chlorophenyl)-3-methyl-4a,5,6,7,8,8a-hexahydro-2H-benzo[e][1,3]oxazin-4-one
CAS Name: (2S,4aR,8aS)-2-(4-chlorophenyl)-3-methyl-4a,5,6,7,8,8a-hexahydro-2H-benzo[e][1,3]oxazin-4-one
IUPAC NAME: (2S,4aR,8aS)-2-(4-chlorophenyl)-3-methyl-4a,5,6,7,8,8a-hexahydro-2H-benzo[e][1,3]oxazin-4-one
SYSTEMATIC NAME: (2S,4aR,8aS)-2-(4-chlorophenyl)-3-methyl-4a,5,6,7,8,8a-hexahydro-2H-benzo[e][1,3]oxazin-4-one
MOLECULAR FORMULA: C15H18ClNO2
MOLECULAR WEIGHT: 279.76192
SMILES: CN1[C@@H](O[C@H]2CCCC[C@H]2C1=O)C3=CC=C(C=C3)Cl
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Product OPENEYE NAME: (2S,4aR,9aS)-2-(4-chlorophenyl)-3-methyl-2,4a,5,6,7,8,9,9a-octahydrocyclohepta[e][1,3]oxazin-4-one
CAS Name: (2S,4aR,9aS)-2-(4-chlorophenyl)-3-methyl-2,4a,5,6,7,8,9,9a-octahydrocyclohepta[e][1,3]oxazin-4-one
IUPAC NAME: (2S,4aR,9aS)-2-(4-chlorophenyl)-3-methyl-2,4a,5,6,7,8,9,9a-octahydrocyclohepta[e][1,3]oxazin-4-one
SYSTEMATIC NAME: (2S,4aR,9aS)-2-(4-chlorophenyl)-3-methyl-2,4a,5,6,7,8,9,9a-octahydrocyclohepta[e][1,3]oxazin-4-one
MOLECULAR FORMULA: C16H20ClNO2
MOLECULAR WEIGHT: 293.7885
SMILES: CN1[C@@H](O[C@H]2CCCCC[C@H]2C1=O)C3=CC=C(C=C3)Cl
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Product OPENEYE NAME: (4aR,8aS)-spiro[4a,5,6,7,8,8a-hexahydro-3H-benzo[e][1,3]oxazine-2,1'-cyclohexane]-4-one
CAS Name: (4aR,8aS)-4-spiro[4a,5,6,7,8,8a-hexahydro-3H-benzo[e][1,3]oxazine-2,1'-cyclohexane]one
IUPAC NAME: (4aR,8aS)-spiro[4a,5,6,7,8,8a-hexahydro-3H-benzo[e][1,3]oxazine-2,1'-cyclohexane]-4-one
SYSTEMATIC NAME: (4aR,8aS)-spiro[4a,5,6,7,8,8a-hexahydro-3H-benzo[e][1,3]oxazine-2,1'-cyclohexane]-4-one
MOLECULAR FORMULA: C13H21NO2
MOLECULAR WEIGHT: 223.31134
SMILES: C1CCC2(CC1)NC(=O)[C@@H]3CCCC[C@@H]3O2
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Product OPENEYE NAME: (4aR,9aS)-spiro[3,4a,5,6,7,8,9,9a-octahydrocyclohepta[e][1,3]oxazine-2,1'-cyclohexane]-4-one
CAS Name: (4aR,9aS)-4-spiro[3,4a,5,6,7,8,9,9a-octahydrocyclohepta[e][1,3]oxazine-2,1'-cyclohexane]one
IUPAC NAME: (4aR,9aS)-spiro[3,4a,5,6,7,8,9,9a-octahydrocyclohepta[e][1,3]oxazine-2,1'-cyclohexane]-4-one
SYSTEMATIC NAME: (4aR,9aS)-spiro[3,4a,5,6,7,8,9,9a-octahydrocyclohepta[e][1,3]oxazine-2,1'-cyclohexane]-4-one
MOLECULAR FORMULA: C14H23NO2
MOLECULAR WEIGHT: 237.33792
SMILES: C1CC[C@@H]2[C@H](CC1)OC3(CCCCC3)NC2=O
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Product OPENEYE NAME: (2S,4aR,8aS)-2-(4-chlorophenyl)-2,3,4a,5,6,7,8,8a-octahydrobenzo[e][1,3]oxazin-4-one
CAS Name: (2S,4aR,8aS)-2-(4-chlorophenyl)-2,3,4a,5,6,7,8,8a-octahydrobenzo[e][1,3]oxazin-4-one
IUPAC NAME: (2S,4aR,8aS)-2-(4-chlorophenyl)-2,3,4a,5,6,7,8,8a-octahydrobenzo[e][1,3]oxazin-4-one
SYSTEMATIC NAME: (2S,4aR,8aS)-2-(4-chlorophenyl)-2,3,4a,5,6,7,8,8a-octahydrobenzo[e][1,3]oxazin-4-one
MOLECULAR FORMULA: C14H16ClNO2
MOLECULAR WEIGHT: 265.73534
SMILES: C1CC[C@H]2[C@@H](C1)C(=O)N[C@@H](O2)C3=CC=C(C=C3)Cl
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Product OPENEYE NAME: (2S,4aR,9aS)-2-(4-chlorophenyl)-3,4a,5,6,7,8,9,9a-octahydro-2H-cyclohepta[e][1,3]oxazin-4-one
CAS Name: (2S,4aR,9aS)-2-(4-chlorophenyl)-3,4a,5,6,7,8,9,9a-octahydro-2H-cyclohepta[e][1,3]oxazin-4-one
IUPAC NAME: (2S,4aR,9aS)-2-(4-chlorophenyl)-3,4a,5,6,7,8,9,9a-octahydro-2H-cyclohepta[e][1,3]oxazin-4-one
SYSTEMATIC NAME: (2S,4aR,9aS)-2-(4-chlorophenyl)-3,4a,5,6,7,8,9,9a-octahydro-2H-cyclohepta[e][1,3]oxazin-4-one
MOLECULAR FORMULA: C15H18ClNO2
MOLECULAR WEIGHT: 279.76192
SMILES: C1CC[C@@H]2[C@H](CC1)O[C@H](NC2=O)C3=CC=C(C=C3)Cl
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Product OPENEYE NAME: (4aS,8aS)-2,2-dimethyl-4a,5,6,7,8,8a-hexahydro-3H-benzo[e][1,3]oxazin-4-one
CAS Name: (4aS,8aS)-2,2-dimethyl-4a,5,6,7,8,8a-hexahydro-3H-benzo[e][1,3]oxazin-4-one
IUPAC NAME: (4aS,8aS)-2,2-dimethyl-4a,5,6,7,8,8a-hexahydro-3H-benzo[e][1,3]oxazin-4-one
SYSTEMATIC NAME: (4aS,8aS)-2,2-dimethyl-4a,5,6,7,8,8a-hexahydro-3H-benzo[e][1,3]oxazin-4-one
MOLECULAR FORMULA: C10H17NO2
MOLECULAR WEIGHT: 183.24748
SMILES: CC1(NC(=O)[C@H]2CCCC[C@@H]2O1)C
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Product OPENEYE NAME: (4aS,8aS)-spiro[4a,5,6,7,8,8a-hexahydro-3H-benzo[e][1,3]oxazine-2,1'-cyclohexane]-4-one
CAS Name: (4aS,8aS)-4-spiro[4a,5,6,7,8,8a-hexahydro-3H-benzo[e][1,3]oxazine-2,1'-cyclohexane]one
IUPAC NAME: (4aS,8aS)-spiro[4a,5,6,7,8,8a-hexahydro-3H-benzo[e][1,3]oxazine-2,1'-cyclohexane]-4-one
SYSTEMATIC NAME: (4aS,8aS)-spiro[4a,5,6,7,8,8a-hexahydro-3H-benzo[e][1,3]oxazine-2,1'-cyclohexane]-4-one
MOLECULAR FORMULA: C13H21NO2
MOLECULAR WEIGHT: 223.31134
SMILES: C1CCC2(CC1)NC(=O)[C@H]3CCCC[C@@H]3O2
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Product OPENEYE NAME: (4aS,9aS)-spiro[3,4a,5,6,7,8,9,9a-octahydrocyclohepta[e][1,3]oxazine-2,1'-cyclohexane]-4-one
CAS Name: (4aS,9aS)-4-spiro[3,4a,5,6,7,8,9,9a-octahydrocyclohepta[e][1,3]oxazine-2,1'-cyclohexane]one
IUPAC NAME: (4aS,9aS)-spiro[3,4a,5,6,7,8,9,9a-octahydrocyclohepta[e][1,3]oxazine-2,1'-cyclohexane]-4-one
SYSTEMATIC NAME: (4aS,9aS)-spiro[3,4a,5,6,7,8,9,9a-octahydrocyclohepta[e][1,3]oxazine-2,1'-cyclohexane]-4-one
MOLECULAR FORMULA: C14H23NO2
MOLECULAR WEIGHT: 237.33792
SMILES: C1CC[C@H]2[C@H](CC1)OC3(CCCCC3)NC2=O
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Product OPENEYE NAME: (2S,4aS,8aS)-2-(4-chlorophenyl)-2,3,4a,5,6,7,8,8a-octahydrobenzo[e][1,3]oxazin-4-one
CAS Name: (2S,4aS,8aS)-2-(4-chlorophenyl)-2,3,4a,5,6,7,8,8a-octahydrobenzo[e][1,3]oxazin-4-one
IUPAC NAME: (2S,4aS,8aS)-2-(4-chlorophenyl)-2,3,4a,5,6,7,8,8a-octahydrobenzo[e][1,3]oxazin-4-one
SYSTEMATIC NAME: (2S,4aS,8aS)-2-(4-chlorophenyl)-2,3,4a,5,6,7,8,8a-octahydrobenzo[e][1,3]oxazin-4-one
MOLECULAR FORMULA: C14H16ClNO2
MOLECULAR WEIGHT: 265.73534
SMILES: C1CC[C@H]2[C@H](C1)C(=O)N[C@@H](O2)C3=CC=C(C=C3)Cl
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