[2-(4-acetamidophenyl)-2-oxidanylidene-ethyl] 5-chloranyl-3-methyl-1-phenyl-pyrazole-4-carboxylate

Systemtic Name: [2-(4-acetamidophenyl)-2-oxidanylidene-ethyl] 5-chloranyl-3-methyl-1-phenyl-pyrazole-4-carboxylate Openeye Name: [2-(4-acetamidophenyl)-2-oxo-ethyl] 5-chloro-3-methyl-1-phenyl-pyrazole-4-carboxylate CAS Name: 5-chloro-3-methyl-1-phenyl-4-pyrazolecarboxylic acid [2-(4-acetamidophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-acetamidophenyl)-2-oxoethyl] 5-chloro-3-methyl-1-phenylpyrazole-4-carboxylate Traditional Name: 5-chloro-3-methyl-1-phenyl-pyrazole-4-carboxylic acid [2-(4-acetamidophenyl)-2-keto-ethyl] ester Formula: C21H18ClN3O4 MolecularWeight: 411.83832

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)OCC(=O)C2=CC=C(C=C2)NC(=O)C)Cl)C3=CC=CC=C3

Isomeric SMILES

CC1=NN(C(=C1C(=O)OCC(=O)C2=CC=C(C=C2)NC(=O)C)Cl)C3=CC=CC=C3

InChI

InChI=1S/C21H18ClN3O4/c1-13-19(20(22)25(24-13)17-6-4-3-5-7-17)21(28)29-12-18(27)15-8-10-16(11-9-15)23-14(2)26/h3-11H,12H2,1-2H3,(H,23,26)