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

Systemtic Name: [2-[[4-chloranyl-2-(phenylcarbonyl)phenyl]amino]-2-oxidanylidene-ethyl] 2,5-diphenylpyrazole-3-carboxylate Openeye Name: [2-(2-benzoyl-4-chloro-anilino)-2-oxo-ethyl] 2,5-diphenylpyrazole-3-carboxylate CAS Name: 2,5-diphenyl-3-pyrazolecarboxylic acid [2-(2-benzoyl-4-chloroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-benzoyl-4-chloroanilino)-2-oxoethyl] 2,5-diphenylpyrazole-3-carboxylate Traditional Name: 2,5-diphenylpyrazole-3-carboxylic acid [2-(2-benzoyl-4-chloro-anilino)-2-keto-ethyl] ester Formula: C31H22ClN3O4 MolecularWeight: 535.97708

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN(C(=C2)C(=O)OCC(=O)NC3=C(C=C(C=C3)Cl)C(=O)C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)C2=NN(C(=C2)C(=O)OCC(=O)NC3=C(C=C(C=C3)Cl)C(=O)C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C31H22ClN3O4/c32-23-16-17-26(25(18-23)30(37)22-12-6-2-7-13-22)33-29(36)20-39-31(38)28-19-27(21-10-4-1-5-11-21)34-35(28)24-14-8-3-9-15-24/h1-19H,20H2,(H,33,36)