CAS RN: 69902-04-1
CAS Name: (2R)-2-(4-chlorophenyl)-2-(phenylmethoxycarbonylamino)acetate
OPENEYE Name: (2R)-2-(benzyloxycarbonylamino)-2-(4-chlorophenyl)acetate
IUPAC Name: (2R)-2-(4-chlorophenyl)-2-(phenylmethoxycarbonylamino)acetate
SYSTEMATIC NAME: (2R)-2-(4-chlorophenyl)-2-(phenylmethoxycarbonylamino)ethanoate
MOLECULAR FORMULA: C16H13ClNO4-
MOLECULAR WEIGHT: 318.73172
SMILES: C1=CC=C(C=C1)COC(=O)N[C@H](C2=CC=C(C=C2)Cl)C(=O)[O-]
Structure:
CAS RN: 17228-99-8
CAS Name: 2-(4-methylphenyl)-4-thiazolecarboxylate
OPENEYE Name: 2-(p-tolyl)thiazole-4-carboxylate
IUPAC Name: 2-(4-methylphenyl)-1,3-thiazole-4-carboxylate
SYSTEMATIC NAME: 2-(4-methylphenyl)-1,3-thiazole-4-carboxylate
MOLECULAR FORMULA: C11H8NO2S-
MOLECULAR WEIGHT: 218.25172
SMILES: CC1=CC=C(C=C1)C2=NC(=CS2)C(=O)[O-]
Structure:
CAS RN: 54001-13-7
CAS Name: 4-methyl-2-(4-methylphenyl)-5-thiazolecarboxylate
OPENEYE Name: 4-methyl-2-(p-tolyl)thiazole-5-carboxylate
IUPAC Name: 4-methyl-2-(4-methylphenyl)-1,3-thiazole-5-carboxylate
SYSTEMATIC NAME: 4-methyl-2-(4-methylphenyl)-1,3-thiazole-5-carboxylate
MOLECULAR FORMULA: C12H10NO2S-
MOLECULAR WEIGHT: 232.2783
SMILES: CC1=CC=C(C=C1)C2=NC(=C(S2)C(=O)[O-])C
Structure:
CAS RN: 40359-30-6
CAS Name: 2-(2-formyl-6-methoxyphenoxy)acetate
OPENEYE Name: 2-(2-formyl-6-methoxy-phenoxy)acetate
IUPAC Name: 2-(2-formyl-6-methoxyphenoxy)acetate
SYSTEMATIC NAME: 2-(2-methanoyl-6-methoxy-phenoxy)ethanoate
MOLECULAR FORMULA: C10H9O5-
MOLECULAR WEIGHT: 209.17546
SMILES: COC1=CC=CC(=C1OCC(=O)[O-])C=O
Structure:
CAS RN: 57677-80-2
CAS Name: 2-(4-methoxyphenyl)-4-thiazolecarboxylate
OPENEYE Name: 2-(4-methoxyphenyl)thiazole-4-carboxylate
IUPAC Name: 2-(4-methoxyphenyl)-1,3-thiazole-4-carboxylate
SYSTEMATIC NAME: 2-(4-methoxyphenyl)-1,3-thiazole-4-carboxylate
MOLECULAR FORMULA: C11H8NO3S-
MOLECULAR WEIGHT: 234.25112
SMILES: COC1=CC=C(C=C1)C2=NC(=CS2)C(=O)[O-]
Structure:
CAS RN: 62019-34-5
CAS Name: (2S)-1,2-dihydrobenzo[e]benzofuran-2-carboxylic acid ethyl ester
OPENEYE Name: ethyl (2S)-1,2-dihydrobenzo[e]benzofuran-2-carboxylate
IUPAC Name: ethyl (2S)-1,2-dihydrobenzo[e][1]benzofuran-2-carboxylate
SYSTEMATIC NAME: ethyl (2S)-1,2-dihydrobenzo[e][1]benzofuran-2-carboxylate
MOLECULAR FORMULA: C15H14O3
MOLECULAR WEIGHT: 242.26986
SMILES: CCOC(=O)[C@@H]1CC2=C(O1)C=CC3=CC=CC=C23
Structure:
CAS RN: 62019-34-5
CAS Name: (2R)-1,2-dihydrobenzo[e]benzofuran-2-carboxylic acid ethyl ester
OPENEYE Name: ethyl (2R)-1,2-dihydrobenzo[e]benzofuran-2-carboxylate
IUPAC Name: ethyl (2R)-1,2-dihydrobenzo[e][1]benzofuran-2-carboxylate
SYSTEMATIC NAME: ethyl (2R)-1,2-dihydrobenzo[e][1]benzofuran-2-carboxylate
MOLECULAR FORMULA: C15H14O3
MOLECULAR WEIGHT: 242.26986
SMILES: CCOC(=O)[C@H]1CC2=C(O1)C=CC3=CC=CC=C23
Structure:
CAS RN: 39091-01-5
CAS Name: 4-methyl-2-(3-pyridinyl)-5-thiazolecarboxylate
OPENEYE Name: 4-methyl-2-(3-pyridyl)thiazole-5-carboxylate
IUPAC Name: 4-methyl-2-pyridin-3-yl-1,3-thiazole-5-carboxylate
SYSTEMATIC NAME: 4-methyl-2-pyridin-3-yl-1,3-thiazole-5-carboxylate
MOLECULAR FORMULA: C10H7N2O2S-
MOLECULAR WEIGHT: 219.23978
SMILES: CC1=C(SC(=N1)C2=CN=CC=C2)C(=O)[O-]
Structure:
CAS RN: 79017-08-6
CAS Name: (3S)-3-[(1R)-1-nitroethyl]-3H-isobenzofuran-1-one
OPENEYE Name: (3S)-3-[(1R)-1-nitroethyl]-3H-isobenzofuran-1-one
IUPAC Name: (3S)-3-[(1R)-1-nitroethyl]-3H-2-benzofuran-1-one
SYSTEMATIC NAME: (3S)-3-[(1R)-1-nitroethyl]-3H-2-benzofuran-1-one
MOLECULAR FORMULA: C10H9NO4
MOLECULAR WEIGHT: 207.18276
SMILES: C[C@H]([C@@H]1C2=CC=CC=C2C(=O)O1)[N+](=O)[O-]
Structure:
CAS RN: 79017-08-6
CAS Name: (3S)-3-[(1S)-1-nitroethyl]-3H-isobenzofuran-1-one
OPENEYE Name: (3S)-3-[(1S)-1-nitroethyl]-3H-isobenzofuran-1-one
IUPAC Name: (3S)-3-[(1S)-1-nitroethyl]-3H-2-benzofuran-1-one
SYSTEMATIC NAME: (3S)-3-[(1S)-1-nitroethyl]-3H-2-benzofuran-1-one
MOLECULAR FORMULA: C10H9NO4
MOLECULAR WEIGHT: 207.18276
SMILES: C[C@@H]([C@@H]1C2=CC=CC=C2C(=O)O1)[N+](=O)[O-]
Structure:
CAS RN: 79017-08-6
CAS Name: (3R)-3-[(1R)-1-nitroethyl]-3H-isobenzofuran-1-one
OPENEYE Name: (3R)-3-[(1R)-1-nitroethyl]-3H-isobenzofuran-1-one
IUPAC Name: (3R)-3-[(1R)-1-nitroethyl]-3H-2-benzofuran-1-one
SYSTEMATIC NAME: (3R)-3-[(1R)-1-nitroethyl]-3H-2-benzofuran-1-one
MOLECULAR FORMULA: C10H9NO4
MOLECULAR WEIGHT: 207.18276
SMILES: C[C@H]([C@H]1C2=CC=CC=C2C(=O)O1)[N+](=O)[O-]
Structure:
CAS RN: 79017-08-6
CAS Name: (3R)-3-[(1S)-1-nitroethyl]-3H-isobenzofuran-1-one
OPENEYE Name: (3R)-3-[(1S)-1-nitroethyl]-3H-isobenzofuran-1-one
IUPAC Name: (3R)-3-[(1S)-1-nitroethyl]-3H-2-benzofuran-1-one
SYSTEMATIC NAME: (3R)-3-[(1S)-1-nitroethyl]-3H-2-benzofuran-1-one
MOLECULAR FORMULA: C10H9NO4
MOLECULAR WEIGHT: 207.18276
SMILES: C[C@@H]([C@H]1C2=CC=CC=C2C(=O)O1)[N+](=O)[O-]
Structure:
CAS RN: 3598-68-3
CAS Name: (3R)-3-(nitromethyl)-3H-isobenzofuran-1-one
OPENEYE Name: (3R)-3-(nitromethyl)-3H-isobenzofuran-1-one
IUPAC Name: (3R)-3-(nitromethyl)-3H-2-benzofuran-1-one
SYSTEMATIC NAME: (3R)-3-(nitromethyl)-3H-2-benzofuran-1-one
MOLECULAR FORMULA: C9H7NO4
MOLECULAR WEIGHT: 193.15618
SMILES: C1=CC=C2C(=C1)[C@@H](OC2=O)C[N+](=O)[O-]
Structure:
CAS RN: 3598-68-3
CAS Name: (3S)-3-(nitromethyl)-3H-isobenzofuran-1-one
OPENEYE Name: (3S)-3-(nitromethyl)-3H-isobenzofuran-1-one
IUPAC Name: (3S)-3-(nitromethyl)-3H-2-benzofuran-1-one
SYSTEMATIC NAME: (3S)-3-(nitromethyl)-3H-2-benzofuran-1-one
MOLECULAR FORMULA: C9H7NO4
MOLECULAR WEIGHT: 193.15618
SMILES: C1=CC=C2C(=C1)[C@H](OC2=O)C[N+](=O)[O-]
Structure:
CAS RN: 14442-12-7
CAS Name: 3-phenyl-5-isoxazolecarboxylate
OPENEYE Name: 3-phenylisoxazole-5-carboxylate
IUPAC Name: 3-phenyl-1,2-oxazole-5-carboxylate
SYSTEMATIC NAME: 3-phenyl-1,2-oxazole-5-carboxylate
MOLECULAR FORMULA: C10H6NO3-
MOLECULAR WEIGHT: 188.15954
SMILES: C1=CC=C(C=C1)C2=NOC(=C2)C(=O)[O-]
Structure:
CAS RN: 76041-74-2
CAS Name: 3-chloro-5-(trifluoromethyl)-2-pyridinethiolate
OPENEYE Name: 3-chloro-5-(trifluoromethyl)pyridine-2-thiolate
IUPAC Name: 3-chloro-5-(trifluoromethyl)pyridine-2-thiolate
SYSTEMATIC NAME: 3-chloranyl-5-(trifluoromethyl)pyridine-2-thiolate
MOLECULAR FORMULA: C6H2ClF3NS-
MOLECULAR WEIGHT: 212.59999
SMILES: C1=C(C=NC(=C1Cl)[S-])C(F)(F)F
Structure:
CAS RN: 54001-17-1
CAS Name: 2-(4-chlorophenyl)-4-methyl-5-thiazolecarboxylate
OPENEYE Name: 2-(4-chlorophenyl)-4-methyl-thiazole-5-carboxylate
IUPAC Name: 2-(4-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxylate
SYSTEMATIC NAME: 2-(4-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxylate
MOLECULAR FORMULA: C11H7ClNO2S-
MOLECULAR WEIGHT: 252.69678
SMILES: CC1=C(SC(=N1)C2=CC=C(C=C2)Cl)C(=O)[O-]
Structure:
CAS RN: 74444-83-0
CAS Name: (2S)-2-(4-chlorophenyl)cyclopropane-1,1-dicarboxylic acid diethyl ester
OPENEYE Name: diethyl (2S)-2-(4-chlorophenyl)cyclopropane-1,1-dicarboxylate
IUPAC Name: diethyl (2S)-2-(4-chlorophenyl)cyclopropane-1,1-dicarboxylate
SYSTEMATIC NAME: diethyl (2S)-2-(4-chlorophenyl)cyclopropane-1,1-dicarboxylate
MOLECULAR FORMULA: C15H17ClO4
MOLECULAR WEIGHT: 296.74608
SMILES: CCOC(=O)C1(C[C@H]1C2=CC=C(C=C2)Cl)C(=O)OCC
Structure:
CAS RN: 74444-83-0
CAS Name: (2R)-2-(4-chlorophenyl)cyclopropane-1,1-dicarboxylic acid diethyl ester
OPENEYE Name: diethyl (2R)-2-(4-chlorophenyl)cyclopropane-1,1-dicarboxylate
IUPAC Name: diethyl (2R)-2-(4-chlorophenyl)cyclopropane-1,1-dicarboxylate
SYSTEMATIC NAME: diethyl (2R)-2-(4-chlorophenyl)cyclopropane-1,1-dicarboxylate
MOLECULAR FORMULA: C15H17ClO4
MOLECULAR WEIGHT: 296.74608
SMILES: CCOC(=O)C1(C[C@@H]1C2=CC=C(C=C2)Cl)C(=O)OCC
Structure:
CAS RN: 122321-04-4
CAS Name: 2-[methyl(2-pyridin-1-iumyl)amino]ethanol
OPENEYE Name: 2-[methyl(pyridin-1-ium-2-yl)amino]ethanol
IUPAC Name: 2-[methyl(pyridin-1-ium-2-yl)amino]ethanol
SYSTEMATIC NAME: 2-[methyl(pyridin-1-ium-2-yl)amino]ethanol
MOLECULAR FORMULA: C8H13N2O+
MOLECULAR WEIGHT: 153.20162
SMILES: CN(CCO)C1=CC=CC=[NH+]1
Structure:
CAS RN: 303144-44-7
CAS Name: 1-(2-pyrimidinyl)-4-piperidinecarboxylate
OPENEYE Name: 1-pyrimidin-2-ylpiperidine-4-carboxylate
IUPAC Name: 1-pyrimidin-2-ylpiperidine-4-carboxylate
SYSTEMATIC NAME: 1-pyrimidin-2-ylpiperidine-4-carboxylate
MOLECULAR FORMULA: C10H12N3O2-
MOLECULAR WEIGHT: 206.22118
SMILES: C1CN(CCC1C(=O)[O-])C2=NC=CC=N2
Structure:
CAS RN: 1979-29-9
CAS Name: 2-(trifluoromethoxy)benzoate
OPENEYE Name: 2-(trifluoromethoxy)benzoate
IUPAC Name: 2-(trifluoromethoxy)benzoate
SYSTEMATIC NAME: 2-(trifluoromethyloxy)benzoate
MOLECULAR FORMULA: C8H4F3O3-
MOLECULAR WEIGHT: 205.11077
SMILES: C1=CC=C(C(=C1)C(=O)[O-])OC(F)(F)F
Structure:
CAS RN: 20173-04-0
CAS Name: methyl(3-pyridinylmethyl)ammonium
OPENEYE Name: methyl(3-pyridylmethyl)ammonium
IUPAC Name: methyl(pyridin-3-ylmethyl)azanium
SYSTEMATIC NAME: methyl(pyridin-3-ylmethyl)azanium
MOLECULAR FORMULA: C7H11N2+
MOLECULAR WEIGHT: 123.17564
SMILES: C[NH2+]CC1=CN=CC=C1
Structure:
CAS RN: 175277-99-3
CAS Name: 2-chloro-4-fluorobenzenethiolate
OPENEYE Name: 2-chloro-4-fluoro-benzenethiolate
IUPAC Name: 2-chloro-4-fluorobenzenethiolate
SYSTEMATIC NAME: 2-chloranyl-4-fluoranyl-benzenethiolate
MOLECULAR FORMULA: C6H3ClFS-
MOLECULAR WEIGHT: 161.604423
SMILES: C1=CC(=C(C=C1F)Cl)[S-]
Structure:
CAS RN: 60811-23-6
CAS Name: 3-chloro-4-fluorobenzenethiolate
OPENEYE Name: 3-chloro-4-fluoro-benzenethiolate
IUPAC Name: 3-chloro-4-fluorobenzenethiolate
SYSTEMATIC NAME: 3-chloranyl-4-fluoranyl-benzenethiolate
MOLECULAR FORMULA: C6H3ClFS-
MOLECULAR WEIGHT: 161.604423
SMILES: C1=CC(=C(C=C1[S-])Cl)F
Structure:
CAS RN: 1122-41-4
CAS Name: 2,4-dichlorobenzenethiolate
OPENEYE Name: 2,4-dichlorobenzenethiolate
IUPAC Name: 2,4-dichlorobenzenethiolate
SYSTEMATIC NAME: 2,4-bis(chloranyl)benzenethiolate
MOLECULAR FORMULA: C6H3Cl2S-
MOLECULAR WEIGHT: 178.05902
SMILES: C1=CC(=C(C=C1Cl)Cl)[S-]
Structure:
CAS RN: 117391-52-3
CAS Name: (3S)-3-ammonio-3-(4-ethylphenyl)propanoate
OPENEYE Name: (3S)-3-azaniumyl-3-(4-ethylphenyl)propanoate
IUPAC Name: (3S)-3-azaniumyl-3-(4-ethylphenyl)propanoate
SYSTEMATIC NAME: (3S)-3-azaniumyl-3-(4-ethylphenyl)propanoate
MOLECULAR FORMULA: C11H15NO2
MOLECULAR WEIGHT: 193.2423
SMILES: CCC1=CC=C(C=C1)[C@H](CC(=O)[O-])[NH3+]
Structure:
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