CAS RN: 7471-33-2
CAS Name: 2-[oxo-(4-propan-2-ylphenyl)methyl]benzoic acid
OPENEYE Name: 2-(4-isopropylbenzoyl)benzoic acid
IUPAC Name: 2-(4-propan-2-ylbenzoyl)benzoic acid
SYSTEMATIC NAME: 2-(4-propan-2-ylphenyl)carbonylbenzoic acid
MOLECULAR FORMULA: C17H16O3
MOLECULAR WEIGHT: 268.30714
SMILES: CC(C)C1=CC=C(C=C1)C(=O)C2=CC=CC=C2C(=O)O
Structure:
CAS RN: 7471-31-0
CAS Name: 4-benzoyloxybenzoic acid ethyl ester
OPENEYE Name: ethyl 4-benzoyloxybenzoate
IUPAC Name: ethyl 4-benzoyloxybenzoate
SYSTEMATIC NAME: ethyl 4-(phenylcarbonyloxy)benzoate
MOLECULAR FORMULA: C16H14O4
MOLECULAR WEIGHT: 270.27996
SMILES: CCOC(=O)C1=CC=C(C=C1)OC(=O)C2=CC=CC=C2
Structure:
CAS RN: 7471-30-9
CAS Name: 2-nitrobenzoic acid (4-nitrophenyl)methyl ester
OPENEYE Name: (4-nitrophenyl)methyl 2-nitrobenzoate
IUPAC Name: (4-nitrophenyl)methyl 2-nitrobenzoate
SYSTEMATIC NAME: (4-nitrophenyl)methyl 2-nitrobenzoate
MOLECULAR FORMULA: C14H10N2O6
MOLECULAR WEIGHT: 302.239
SMILES: C1=CC=C(C(=C1)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]
Structure:
CAS RN: 7471-29-6
CAS Name: 3-nitrobenzoic acid [2-(4-bromophenyl)-2-oxoethyl] ester
OPENEYE Name: [2-(4-bromophenyl)-2-oxo-ethyl] 3-nitrobenzoate
IUPAC Name: [2-(4-bromophenyl)-2-oxoethyl] 3-nitrobenzoate
SYSTEMATIC NAME: [2-(4-bromophenyl)-2-oxidanylidene-ethyl] 3-nitrobenzoate
MOLECULAR FORMULA: C15H10BrNO5
MOLECULAR WEIGHT: 364.1476
SMILES: C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)OCC(=O)C2=CC=C(C=C2)Br
Structure:
CAS RN: 7598-27-8
CAS Name: 2,2-diphenylacetic acid [2-(4-bromophenyl)-2-oxoethyl] ester
OPENEYE Name: [2-(4-bromophenyl)-2-oxo-ethyl] 2,2-diphenylacetate
IUPAC Name: [2-(4-bromophenyl)-2-oxoethyl] 2,2-diphenylacetate
SYSTEMATIC NAME: [2-(4-bromophenyl)-2-oxidanylidene-ethyl] 2,2-diphenylethanoate
MOLECULAR FORMULA: C22H17BrO3
MOLECULAR WEIGHT: 409.27258
SMILES: C1=CC=C(C=C1)C(C2=CC=CC=C2)C(=O)OCC(=O)C3=CC=C(C=C3)Br
Structure:
CAS RN: 7506-12-9
CAS Name: benzoic acid [2-(4-bromophenyl)-2-oxoethyl] ester
OPENEYE Name: [2-(4-bromophenyl)-2-oxo-ethyl] benzoate
IUPAC Name: [2-(4-bromophenyl)-2-oxoethyl] benzoate
SYSTEMATIC NAME: [2-(4-bromophenyl)-2-oxidanylidene-ethyl] benzoate
MOLECULAR FORMULA: C15H11BrO3
MOLECULAR WEIGHT: 319.15004
SMILES: C1=CC=C(C=C1)C(=O)OCC(=O)C2=CC=C(C=C2)Br
Structure:
CAS RN: 7471-28-5
CAS Name: 3,5-dimethylbenzoic acid cyclopentyl ester
OPENEYE Name: cyclopentyl 3,5-dimethylbenzoate
IUPAC Name: cyclopentyl 3,5-dimethylbenzoate
SYSTEMATIC NAME: cyclopentyl 3,5-dimethylbenzoate
MOLECULAR FORMULA: C14H18O2
MOLECULAR WEIGHT: 218.29152
SMILES: CC1=CC(=CC(=C1)C(=O)OC2CCCC2)C
Structure:
CAS RN: 7471-26-3
CAS Name: N-(4-methoxyphenyl)benzenesulfonamide
OPENEYE Name: N-(4-methoxyphenyl)benzenesulfonamide
IUPAC Name: N-(4-methoxyphenyl)benzenesulfonamide
SYSTEMATIC NAME: N-(4-methoxyphenyl)benzenesulfonamide
MOLECULAR FORMULA: C13H13NO3S
MOLECULAR WEIGHT: 263.31222
SMILES: COC1=CC=C(C=C1)NS(=O)(=O)C2=CC=CC=C2
Structure:
CAS RN: 7471-25-2
CAS Name: N-(1-naphthalenyl)carbamic acid pentan-3-yl ester
OPENEYE Name: 1-ethylpropyl N-(1-naphthyl)carbamate
IUPAC Name: pentan-3-yl N-naphthalen-1-ylcarbamate
SYSTEMATIC NAME: pentan-3-yl N-naphthalen-1-ylcarbamate
MOLECULAR FORMULA: C16H19NO2
MOLECULAR WEIGHT: 257.32756
SMILES: CCC(CC)OC(=O)NC1=CC=CC2=CC=CC=C21
Structure:
CAS RN: 7471-24-1
CAS Name: N-(1-naphthalenyl)carbamic acid octyl ester
OPENEYE Name: octyl N-(1-naphthyl)carbamate
IUPAC Name: octyl N-naphthalen-1-ylcarbamate
SYSTEMATIC NAME: octyl N-naphthalen-1-ylcarbamate
MOLECULAR FORMULA: C19H25NO2
MOLECULAR WEIGHT: 299.4073
SMILES: CCCCCCCCOC(=O)NC1=CC=CC2=CC=CC=C21
Structure:
CAS RN: 7471-22-9
CAS Name: [3-amino-5-(6-aminopurin-9-yl)-4-(ethylthio)-2-oxolanyl]methanol
OPENEYE Name: [3-amino-5-(6-aminopurin-9-yl)-4-ethylsulfanyl-tetrahydrofuran-2-yl]methanol
IUPAC Name: [3-amino-5-(6-aminopurin-9-yl)-4-ethylsulfanyloxolan-2-yl]methanol
SYSTEMATIC NAME: [5-(6-aminopurin-9-yl)-3-azanyl-4-ethylsulfanyl-oxolan-2-yl]methanol
MOLECULAR FORMULA: C12H18N6O2S
MOLECULAR WEIGHT: 310.37532
SMILES: CCSC1C(C(OC1N2C=NC3=C2N=CN=C3N)CO)N
Structure:
CAS RN: 7494-65-7
CAS Name: 2-hydroxy-N,N-bis(phenylmethyl)propanamide
OPENEYE Name: N,N-dibenzyl-2-hydroxy-propanamide
IUPAC Name: N,N-dibenzyl-2-hydroxypropanamide
SYSTEMATIC NAME: 2-oxidanyl-N,N-bis(phenylmethyl)propanamide
MOLECULAR FORMULA: C17H19NO2
MOLECULAR WEIGHT: 269.33826
SMILES: CC(C(=O)N(CC1=CC=CC=C1)CC2=CC=CC=C2)O
Structure:
CAS RN: 7494-64-6
CAS Name: 1-cyano-2-(9-phenanthrenyl)guanidine
OPENEYE Name: 1-cyano-2-(9-phenanthryl)guanidine
IUPAC Name: 1-cyano-2-phenanthren-9-ylguanidine
SYSTEMATIC NAME: 1-cyano-2-phenanthren-9-yl-guanidine
MOLECULAR FORMULA: C16H12N4
MOLECULAR WEIGHT: 260.29328
SMILES: C1=CC=C2C(=C1)C=C(C3=CC=CC=C23)N=C(N)NC#N
Structure:
CAS RN: 7471-20-7
CAS Name: N-(2-pyrazinyl)benzenesulfonamide
OPENEYE Name: N-pyrazin-2-ylbenzenesulfonamide
IUPAC Name: N-pyrazin-2-ylbenzenesulfonamide
SYSTEMATIC NAME: N-pyrazin-2-ylbenzenesulfonamide
MOLECULAR FORMULA: C10H9N3O2S
MOLECULAR WEIGHT: 235.26236
SMILES: C1=CC=C(C=C1)S(=O)(=O)NC2=NC=CN=C2
Structure:
CAS RN: 7471-18-3
CAS Name: 2-(3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-2-yl)-3,4-dihydroquinoline
OPENEYE Name: 2-(3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-2-yl)-3,4-dihydroquinoline
IUPAC Name: 2-(3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-2-yl)-3,4-dihydroquinoline
SYSTEMATIC NAME: 2-(3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-2-yl)-3,4-dihydroquinoline
MOLECULAR FORMULA: C16H19N3
MOLECULAR WEIGHT: 253.34216
SMILES: C1CCC2C(C1)NC(=N2)C3=NC4=CC=CC=C4CC3
Structure:
CAS RN: 7471-17-2
CAS Name: 2-(2-pyridinyl)-3H-benzo[e]benzimidazole
OPENEYE Name: 2-(2-pyridyl)-3H-benzo[e]benzimidazole
IUPAC Name: 2-pyridin-2-yl-3H-benzo[e]benzimidazole
SYSTEMATIC NAME: 2-pyridin-2-yl-3H-benzo[e]benzimidazole
MOLECULAR FORMULA: C16H11N3
MOLECULAR WEIGHT: 245.27864
SMILES: C1=CC=C2C(=C1)C=CC3=C2N=C(N3)C4=CC=CC=N4
Structure:
CAS RN: 7471-15-0
CAS Name: 2-[(4-mercaptophenyl)iminomethyl]-1-cyclohexanol
OPENEYE Name: 2-[(4-sulfanylphenyl)iminomethyl]cyclohexanol
IUPAC Name: 2-[(4-sulfanylphenyl)iminomethyl]cyclohexan-1-ol
SYSTEMATIC NAME: 2-[(4-sulfanylphenyl)iminomethyl]cyclohexan-1-ol
MOLECULAR FORMULA: C13H17NOS
MOLECULAR WEIGHT: 235.34518
SMILES: C1CCC(C(C1)C=NC2=CC=C(C=C2)S)O
Structure:
CAS RN: 7471-13-8
CAS Name: N-(4-methylphenyl)-1-(2-pyridinyl)methanimine
OPENEYE Name: N-(p-tolyl)-1-(2-pyridyl)methanimine
IUPAC Name: N-(4-methylphenyl)-1-pyridin-2-ylmethanimine
SYSTEMATIC NAME: N-(4-methylphenyl)-1-pyridin-2-yl-methanimine
MOLECULAR FORMULA: C13H12N2
MOLECULAR WEIGHT: 196.24778
SMILES: CC1=CC=C(C=C1)N=CC2=CC=CC=N2
Structure:
CAS RN: 7471-12-7
CAS Name: 6-methyl-2-(2-pyridinyl)-1H-benzimidazole
OPENEYE Name: 6-methyl-2-(2-pyridyl)-1H-benzimidazole
IUPAC Name: 6-methyl-2-pyridin-2-yl-1H-benzimidazole
SYSTEMATIC NAME: 6-methyl-2-pyridin-2-yl-1H-benzimidazole
MOLECULAR FORMULA: C13H11N3
MOLECULAR WEIGHT: 209.24654
SMILES: CC1=CC2=C(C=C1)N=C(N2)C3=CC=CC=N3
Structure:
CAS RN: 4248-59-3
CAS Name: 3H-benzo[e]benzimidazol-2-ylmethanol
OPENEYE Name: 3H-benzo[e]benzimidazol-2-ylmethanol
IUPAC Name: 3H-benzo[e]benzimidazol-2-ylmethanol
SYSTEMATIC NAME: 3H-benzo[e]benzimidazol-2-ylmethanol
MOLECULAR FORMULA: C12H10N2O
MOLECULAR WEIGHT: 198.2206
SMILES: C1=CC=C2C(=C1)C=CC3=C2N=C(N3)CO
Structure:
CAS RN: 7471-10-5
CAS Name: 1H-benzo[f]benzimidazol-2-ylmethanol
OPENEYE Name: 1H-benzo[f]benzimidazol-2-ylmethanol
IUPAC Name: 1H-benzo[f]benzimidazol-2-ylmethanol
SYSTEMATIC NAME: 1H-benzo[f]benzimidazol-2-ylmethanol
MOLECULAR FORMULA: C12H10N2O
MOLECULAR WEIGHT: 198.2206
SMILES: C1=CC=C2C=C3C(=CC2=C1)NC(=N3)CO
Structure:
CAS RN: 7471-09-2
CAS Name: N-(2-methylbut-3-yn-2-yl)aniline
OPENEYE Name: N-(1,1-dimethylprop-2-ynyl)aniline
IUPAC Name: N-(2-methylbut-3-yn-2-yl)aniline
SYSTEMATIC NAME: N-(2-methylbut-3-yn-2-yl)aniline
MOLECULAR FORMULA: C11H13N
MOLECULAR WEIGHT: 159.22762
SMILES: CC(C)(C#C)NC1=CC=CC=C1
Structure:
CAS RN: 7471-08-1
CAS Name: 1-(3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-2-yl)-N-methylmethanamine
OPENEYE Name: 1-(3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-2-yl)-N-methyl-methanamine
IUPAC Name: 1-(3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-2-yl)-N-methylmethanamine
SYSTEMATIC NAME: 1-(3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-2-yl)-N-methyl-methanamine
MOLECULAR FORMULA: C9H17N3
MOLECULAR WEIGHT: 167.25138
SMILES: CNCC1=NC2CCCCC2N1
Structure:
CAS RN: 7471-07-0
CAS Name: 4-(2-methylbut-3-yn-2-yl)morpholine
OPENEYE Name: 4-(1,1-dimethylprop-2-ynyl)morpholine
IUPAC Name: 4-(2-methylbut-3-yn-2-yl)morpholine
SYSTEMATIC NAME: 4-(2-methylbut-3-yn-2-yl)morpholine
MOLECULAR FORMULA: C9H15NO
MOLECULAR WEIGHT: 153.2215
SMILES: CC(C)(C#C)N1CCOCC1
Structure:
CAS RN: 7471-06-9
CAS Name: 4-ethoxy-1H-benzimidazole
OPENEYE Name: 4-ethoxy-1H-benzimidazole
IUPAC Name: 4-ethoxy-1H-benzimidazole
SYSTEMATIC NAME: 4-ethoxy-1H-benzimidazole
MOLECULAR FORMULA: C9H10N2O
MOLECULAR WEIGHT: 162.1885
SMILES: CCOC1=CC=CC2=C1N=CN2
Structure:
CAS RN: 7471-05-8
CAS Name: 2-(4,5-dihydro-1H-imidazol-2-yl)pyridine
OPENEYE Name: 2-(4,5-dihydro-1H-imidazol-2-yl)pyridine
IUPAC Name: 2-(4,5-dihydro-1H-imidazol-2-yl)pyridine
SYSTEMATIC NAME: 2-(4,5-dihydro-1H-imidazol-2-yl)pyridine
MOLECULAR FORMULA: C8H9N3
MOLECULAR WEIGHT: 147.17716
SMILES: C1CN=C(N1)C2=CC=CC=N2
Structure:
CAS RN: 7471-04-7
CAS Name: 2-amino-7-methyl-1,3-benzothiazol-4-ol
OPENEYE Name: 2-amino-7-methyl-1,3-benzothiazol-4-ol
IUPAC Name: 2-amino-7-methyl-1,3-benzothiazol-4-ol
SYSTEMATIC NAME: 2-azanyl-7-methyl-1,3-benzothiazol-4-ol
MOLECULAR FORMULA: C8H8N2OS
MOLECULAR WEIGHT: 180.22692
SMILES: CC1=C2C(=C(C=C1)O)N=C(S2)N
Structure:
CAS RN: 51110-60-2
CAS Name: 2-methyl-1,3-benzoxazol-4-ol
OPENEYE Name: 2-methyl-1,3-benzoxazol-4-ol
IUPAC Name: 2-methyl-1,3-benzoxazol-4-ol
SYSTEMATIC NAME: 2-methyl-1,3-benzoxazol-4-ol
MOLECULAR FORMULA: C8H7NO2
MOLECULAR WEIGHT: 149.14668
SMILES: CC1=NC2=C(O1)C=CC=C2O
Structure:
CAS RN: 7471-01-4
CAS Name: 3,4-bis[(4-hydroxy-3-methoxyphenyl)methyl]-2-oxolanone
OPENEYE Name: 3,4-bis[(4-hydroxy-3-methoxy-phenyl)methyl]tetrahydrofuran-2-one
IUPAC Name: 3,4-bis[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-2-one
SYSTEMATIC NAME: 3,4-bis[(3-methoxy-4-oxidanyl-phenyl)methyl]oxolan-2-one
MOLECULAR FORMULA: C20H22O6
MOLECULAR WEIGHT: 358.38508
SMILES: COC1=C(C=CC(=C1)CC2COC(=O)C2CC3=CC(=C(C=C3)O)OC)O
Structure:
CAS RN: 7471-00-3
CAS Name: acetic acid [4-acetyloxy-2,5-bis(diethylamino)phenyl] ester
OPENEYE Name: [4-acetoxy-2,5-bis(diethylamino)phenyl] acetate
IUPAC Name: [4-acetyloxy-2,5-bis(diethylamino)phenyl] acetate
SYSTEMATIC NAME: [4-acetyloxy-2,5-bis(diethylamino)phenyl] ethanoate
MOLECULAR FORMULA: C18H28N2O4
MOLECULAR WEIGHT: 336.42592
SMILES: CCN(CC)C1=CC(=C(C=C1OC(=O)C)N(CC)CC)OC(=O)C
Structure:
CAS RN: 7470-99-7
CAS Name: 6-[oxo-(3,4,5-trimethoxyphenyl)methyl]-1,3-benzodioxole-5-carboxylic acid
OPENEYE Name: 6-(3,4,5-trimethoxybenzoyl)-1,3-benzodioxole-5-carboxylic acid
IUPAC Name: 6-(3,4,5-trimethoxybenzoyl)-1,3-benzodioxole-5-carboxylic acid
SYSTEMATIC NAME: 6-(3,4,5-trimethoxyphenyl)carbonyl-1,3-benzodioxole-5-carboxylic acid
MOLECULAR FORMULA: C18H16O8
MOLECULAR WEIGHT: 360.31484
SMILES: COC1=CC(=CC(=C1OC)OC)C(=O)C2=CC3=C(C=C2C(=O)O)OCO3
Structure:
CAS RN: 7470-97-5
CAS Name: 5-hydroxy-10-oxido-7-oxo-2-phenazin-10-iumcarboxylic acid
OPENEYE Name: 5-hydroxy-10-oxido-7-oxo-phenazin-10-ium-2-carboxylic acid
IUPAC Name: 5-hydroxy-10-oxido-7-oxophenazin-10-ium-2-carboxylic acid
SYSTEMATIC NAME: 10-oxidanidyl-5-oxidanyl-7-oxidanylidene-phenazin-10-ium-2-carboxylic acid
MOLECULAR FORMULA: C13H8N2O5
MOLECULAR WEIGHT: 272.21302
SMILES: C1=CC2=C(C=C1C(=O)O)[N+](=C3C=CC(=O)C=C3N2O)[O-]
Structure:
CAS RN: 7506-10-7
CAS Name: 10-hydroxy-5-oxido-8-oxo-2-phenazin-5-iumcarbonitrile
OPENEYE Name: 10-hydroxy-5-oxido-8-oxo-phenazin-5-ium-2-carbonitrile
IUPAC Name: 10-hydroxy-5-oxido-8-oxophenazin-5-ium-2-carbonitrile
SYSTEMATIC NAME: 5-oxidanidyl-10-oxidanyl-8-oxidanylidene-phenazin-5-ium-2-carbonitrile
MOLECULAR FORMULA: C13H7N3O3
MOLECULAR WEIGHT: 253.21298
SMILES: C1=CC2=C(C=C1C#N)N(C3=CC(=O)C=CC3=[N+]2[O-])O
Structure:
CAS RN: 7461-51-0
CAS Name: 3,5-dinitro-N-phenylbenzamide
OPENEYE Name: 3,5-dinitro-N-phenyl-benzamide
IUPAC Name: 3,5-dinitro-N-phenylbenzamide
SYSTEMATIC NAME: 3,5-dinitro-N-phenyl-benzamide
MOLECULAR FORMULA: C13H9N3O5
MOLECULAR WEIGHT: 287.22766
SMILES: C1=CC=C(C=C1)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]
Structure:
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