[2-[(2-chlorophenyl)amino]-2-oxidanylidene-ethyl] 2,5-diphenylpyrazole-3-carboxylate

Systemtic Name: [2-[(2-chlorophenyl)amino]-2-oxidanylidene-ethyl] 2,5-diphenylpyrazole-3-carboxylate Openeye Name: [2-(2-chloroanilino)-2-oxo-ethyl] 2,5-diphenylpyrazole-3-carboxylate CAS Name: 2,5-diphenyl-3-pyrazolecarboxylic acid [2-(2-chloroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-chloroanilino)-2-oxoethyl] 2,5-diphenylpyrazole-3-carboxylate Traditional Name: 2,5-diphenylpyrazole-3-carboxylic acid [2-(2-chloroanilino)-2-keto-ethyl] ester Formula: C24H18ClN3O3 MolecularWeight: 431.87102

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN(C(=C2)C(=O)OCC(=O)NC3=CC=CC=C3Cl)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C2=NN(C(=C2)C(=O)OCC(=O)NC3=CC=CC=C3Cl)C4=CC=CC=C4

InChI

InChI=1S/C24H18ClN3O3/c25-19-13-7-8-14-20(19)26-23(29)16-31-24(30)22-15-21(17-9-3-1-4-10-17)27-28(22)18-11-5-2-6-12-18/h1-15H,16H2,(H,26,29)