Product OPENEYE NAME: 2-chloro-1-[(2E)-penta-2,4-dienyl]-3-vinyl-benzene
CAS Name: 2-chloro-1-ethenyl-3-[(2E)-penta-2,4-dienyl]benzene
IUPAC NAME: 2-chloro-1-ethenyl-3-[(2E)-penta-2,4-dienyl]benzene
SYSTEMATIC NAME: 2-chloranyl-1-ethenyl-3-[(2E)-penta-2,4-dienyl]benzene
MOLECULAR FORMULA: C13H13Cl
MOLECULAR WEIGHT: 204.69532
SMILES: C=C/C=C/CC1=CC=CC(=C1Cl)C=C
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Product OPENEYE NAME: (3-methyl-2-oxo-but-3-enoxy) dihydrogen phosphate
CAS Name: (3-methyl-2-oxobut-3-enoxy) dihydrogen phosphate
IUPAC NAME: (3-methyl-2-oxobut-3-enoxy) dihydrogen phosphate
SYSTEMATIC NAME: (3-methyl-2-oxidanylidene-but-3-enoxy) dihydrogen phosphate
MOLECULAR FORMULA: C5H9O6P
MOLECULAR WEIGHT: 196.095121
SMILES: CC(=C)C(=O)COOP(=O)(O)O
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Product OPENEYE NAME: 1-(1-piperidyl)ethyl 2-(4-acetamidophenyl)benzofuran-7-carboxylate
CAS Name: 2-(4-acetamidophenyl)-7-benzofurancarboxylic acid 1-(1-piperidinyl)ethyl ester
IUPAC NAME: 1-piperidin-1-ylethyl 2-(4-acetamidophenyl)-1-benzofuran-7-carboxylate
SYSTEMATIC NAME: 1-piperidin-1-ylethyl 2-(4-acetamidophenyl)-1-benzofuran-7-carboxylate
MOLECULAR FORMULA: C24H26N2O4
MOLECULAR WEIGHT: 406.47424
SMILES: CC(N1CCCCC1)OC(=O)C2=CC=CC3=C2OC(=C3)C4=CC=C(C=C4)NC(=O)C
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Product OPENEYE NAME: 2-(2-nitrophenyl)benzofuran-7-carboxylic acid
CAS Name: 2-(2-nitrophenyl)-7-benzofurancarboxylic acid
IUPAC NAME: 2-(2-nitrophenyl)-1-benzofuran-7-carboxylic acid
SYSTEMATIC NAME: 2-(2-nitrophenyl)-1-benzofuran-7-carboxylic acid
MOLECULAR FORMULA: C15H9NO5
MOLECULAR WEIGHT: 283.23566
SMILES: C1=CC=C(C(=C1)C2=CC3=C(O2)C(=CC=C3)C(=O)O)[N+](=O)[O-]
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Product OPENEYE NAME: 4-methyl-6-(o-tolyl)-2-(2-pyridyl)pyrimidine
CAS Name: 4-methyl-6-(2-methylphenyl)-2-(2-pyridinyl)pyrimidine
IUPAC NAME: 4-methyl-6-(2-methylphenyl)-2-pyridin-2-ylpyrimidine
SYSTEMATIC NAME: 4-methyl-6-(2-methylphenyl)-2-pyridin-2-yl-pyrimidine
MOLECULAR FORMULA: C17H15N3
MOLECULAR WEIGHT: 261.3211
SMILES: CC1=CC=CC=C1C2=CC(=NC(=N2)C3=CC=CC=N3)C
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Product OPENEYE NAME: 2-[3-chloro-4-[(6-chloroquinoxalin-2-yl)oxymethyl]phenyl]acetic acid
CAS Name: 2-[3-chloro-4-[(6-chloro-2-quinoxalinyl)oxymethyl]phenyl]acetic acid
IUPAC NAME: 2-[3-chloro-4-[(6-chloroquinoxalin-2-yl)oxymethyl]phenyl]acetic acid
SYSTEMATIC NAME: 2-[3-chloranyl-4-[(6-chloranylquinoxalin-2-yl)oxymethyl]phenyl]ethanoic acid
MOLECULAR FORMULA: C17H12Cl2N2O3
MOLECULAR WEIGHT: 363.19478
SMILES: C1=CC(=C(C=C1CC(=O)O)Cl)COC2=CN=C3C=C(C=CC3=N2)Cl
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Product OPENEYE NAME: 3-[(4-methoxy-6-methyl-pyrimidin-2-yl)carbamoylsulfamoyl]-1-methyl-pyrazole-4-carboxylic acid
CAS Name: 3-[[[(4-methoxy-6-methyl-2-pyrimidinyl)amino]-oxomethyl]sulfamoyl]-1-methyl-4-pyrazolecarboxylic acid
IUPAC NAME: 3-[(4-methoxy-6-methylpyrimidin-2-yl)carbamoylsulfamoyl]-1-methylpyrazole-4-carboxylic acid
SYSTEMATIC NAME: 3-[(4-methoxy-6-methyl-pyrimidin-2-yl)carbamoylsulfamoyl]-1-methyl-pyrazole-4-carboxylic acid
MOLECULAR FORMULA: C12H14N6O6S
MOLECULAR WEIGHT: 370.34116
SMILES: CC1=CC(=NC(=N1)NC(=O)NS(=O)(=O)C2=NN(C=C2C(=O)O)C)OC
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Product OPENEYE NAME: 3-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-1-methyl-pyrazole-4-carboxylic acid
CAS Name: 3-[[[(4,6-dimethoxy-2-pyrimidinyl)amino]-oxomethyl]sulfamoyl]-1-methyl-4-pyrazolecarboxylic acid
IUPAC NAME: 3-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-1-methylpyrazole-4-carboxylic acid
SYSTEMATIC NAME: 3-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-1-methyl-pyrazole-4-carboxylic acid
MOLECULAR FORMULA: C12H14N6O7S
MOLECULAR WEIGHT: 386.34056
SMILES: CN1C=C(C(=N1)S(=O)(=O)NC(=O)NC2=NC(=CC(=N2)OC)OC)C(=O)O
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Product OPENEYE NAME: methyl 2-[4-(6,7-dichloroquinoxalin-2-yl)oxy-2-methyl-phenyl]acetate
CAS Name: 2-[4-[(6,7-dichloro-2-quinoxalinyl)oxy]-2-methylphenyl]acetic acid methyl ester
IUPAC NAME: methyl 2-[4-(6,7-dichloroquinoxalin-2-yl)oxy-2-methylphenyl]acetate
SYSTEMATIC NAME: methyl 2-[4-[6,7-bis(chloranyl)quinoxalin-2-yl]oxy-2-methyl-phenyl]ethanoate
MOLECULAR FORMULA: C18H14Cl2N2O3
MOLECULAR WEIGHT: 377.22136
SMILES: CC1=C(C=CC(=C1)OC2=NC3=CC(=C(C=C3N=C2)Cl)Cl)CC(=O)OC
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Product OPENEYE NAME: 5-[(4,6-dimethoxypyrimidin-2-yl)carbamoyl]-1-methyl-3-sulfamoyl-pyrazole-4-carboxylic acid
CAS Name: 5-[[(4,6-dimethoxy-2-pyrimidinyl)amino]-oxomethyl]-1-methyl-3-sulfamoyl-4-pyrazolecarboxylic acid
IUPAC NAME: 5-[(4,6-dimethoxypyrimidin-2-yl)carbamoyl]-1-methyl-3-sulfamoylpyrazole-4-carboxylic acid
SYSTEMATIC NAME: 5-[(4,6-dimethoxypyrimidin-2-yl)carbamoyl]-1-methyl-3-sulfamoyl-pyrazole-4-carboxylic acid
MOLECULAR FORMULA: C12H14N6O7S
MOLECULAR WEIGHT: 386.34056
SMILES: CN1C(=C(C(=N1)S(=O)(=O)N)C(=O)O)C(=O)NC2=NC(=CC(=N2)OC)OC
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Product OPENEYE NAME: methyl 2-[4-(6,7-dichloroquinoxalin-2-yl)oxyphenyl]acetate
CAS Name: 2-[4-[(6,7-dichloro-2-quinoxalinyl)oxy]phenyl]acetic acid methyl ester
IUPAC NAME: methyl 2-[4-(6,7-dichloroquinoxalin-2-yl)oxyphenyl]acetate
SYSTEMATIC NAME: methyl 2-[4-[6,7-bis(chloranyl)quinoxalin-2-yl]oxyphenyl]ethanoate
MOLECULAR FORMULA: C17H12Cl2N2O3
MOLECULAR WEIGHT: 363.19478
SMILES: COC(=O)CC1=CC=C(C=C1)OC2=NC3=CC(=C(C=C3N=C2)Cl)Cl
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Product OPENEYE NAME: sodium 5-oxohexanal
CAS Name: sodium 5-oxohexanal
IUPAC NAME: sodium 5-oxohexanal
SYSTEMATIC NAME: sodium 5-oxidanylidenehexanal
MOLECULAR FORMULA: C6H10NaO2+
MOLECULAR WEIGHT: 137.13217
SMILES: CC(=O)CCCC=O.[Na+]
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Product OPENEYE NAME: diethyl 2-aminocyclopropane-1,1-dicarboxylate
CAS Name: 2-aminocyclopropane-1,1-dicarboxylic acid diethyl ester
IUPAC NAME: diethyl 2-aminocyclopropane-1,1-dicarboxylate
SYSTEMATIC NAME: diethyl 2-azanylcyclopropane-1,1-dicarboxylate
MOLECULAR FORMULA: C9H15NO4
MOLECULAR WEIGHT: 201.2197
SMILES: CCOC(=O)C1(CC1N)C(=O)OCC
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Product OPENEYE NAME: 4-oxo-3H-pyridine-5-carboxylate
CAS Name: 4-oxo-3H-pyridine-5-carboxylate
IUPAC NAME: 4-oxo-3H-pyridine-5-carboxylate
SYSTEMATIC NAME: 4-oxidanylidene-3H-pyridine-5-carboxylate
MOLECULAR FORMULA: C6H4NO3-
MOLECULAR WEIGHT: 138.10086
SMILES: C1C=NC=C(C1=O)C(=O)[O-]
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Product OPENEYE NAME: 2-ethyladamantan-1-ol
CAS Name: 2-ethyl-1-adamantanol
IUPAC NAME: 2-ethyladamantan-1-ol
SYSTEMATIC NAME: 2-ethyladamantan-1-ol
MOLECULAR FORMULA: C12H20O
MOLECULAR WEIGHT: 180.2866
SMILES: CCC1C2CC3CC(C2)CC1(C3)O
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Product OPENEYE NAME: [4-[1-(4-bromooxyphenyl)-1-methyl-ethyl]phenyl] hypobromite; 2-methylprop-2-enoic acid
CAS Name: hypobromous acid [4-[2-(4-bromooxyphenyl)propan-2-yl]phenyl] ester; 2-methyl-2-propenoic acid
IUPAC NAME: [4-[2-(4-bromooxyphenyl)propan-2-yl]phenyl] hypobromite; 2-methylprop-2-enoic acid
SYSTEMATIC NAME: [4-[2-(4-bromanyloxyphenyl)propan-2-yl]phenyl] hypobromite; 2-methylprop-2-enoic acid
MOLECULAR FORMULA: C19H20Br2O4
MOLECULAR WEIGHT: 472.1677
SMILES: CC(=C)C(=O)O.CC(C)(C1=CC=C(C=C1)OBr)C2=CC=C(C=C2)OBr
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