[2-[[4-chloranyl-2-(phenylcarbonyl)phenyl]amino]-2-oxidanylidene-ethyl] 3,5-dimethyl-1-phenyl-pyrazole-4-carboxylate

Systemtic Name: [2-[[4-chloranyl-2-(phenylcarbonyl)phenyl]amino]-2-oxidanylidene-ethyl] 3,5-dimethyl-1-phenyl-pyrazole-4-carboxylate Openeye Name: [2-(2-benzoyl-4-chloro-anilino)-2-oxo-ethyl] 3,5-dimethyl-1-phenyl-pyrazole-4-carboxylate CAS Name: 3,5-dimethyl-1-phenyl-4-pyrazolecarboxylic acid [2-(2-benzoyl-4-chloroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-benzoyl-4-chloroanilino)-2-oxoethyl] 3,5-dimethyl-1-phenylpyrazole-4-carboxylate Traditional Name: 3,5-dimethyl-1-phenyl-pyrazole-4-carboxylic acid [2-(2-benzoyl-4-chloro-anilino)-2-keto-ethyl] ester Formula: C27H22ClN3O4 MolecularWeight: 487.93428

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)C(=O)OCC(=O)NC3=C(C=C(C=C3)Cl)C(=O)C4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)C(=O)OCC(=O)NC3=C(C=C(C=C3)Cl)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C27H22ClN3O4/c1-17-25(18(2)31(30-17)21-11-7-4-8-12-21)27(34)35-16-24(32)29-23-14-13-20(28)15-22(23)26(33)19-9-5-3-6-10-19/h3-15H,16H2,1-2H3,(H,29,32)