[2-[(4-iodophenyl)amino]-2-oxidanylidene-ethyl] 3-(4-chlorophenyl)-1-phenyl-pyrazole-4-carboxylate

Systemtic Name: [2-[(4-iodophenyl)amino]-2-oxidanylidene-ethyl] 3-(4-chlorophenyl)-1-phenyl-pyrazole-4-carboxylate Openeye Name: [2-(4-iodoanilino)-2-oxo-ethyl] 3-(4-chlorophenyl)-1-phenyl-pyrazole-4-carboxylate CAS Name: 3-(4-chlorophenyl)-1-phenyl-4-pyrazolecarboxylic acid [2-(4-iodoanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-iodoanilino)-2-oxoethyl] 3-(4-chlorophenyl)-1-phenylpyrazole-4-carboxylate Traditional Name: 3-(4-chlorophenyl)-1-phenyl-pyrazole-4-carboxylic acid [2-(4-iodoanilino)-2-keto-ethyl] ester Formula: C24H17ClIN3O3 MolecularWeight: 557.76755

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=C(C=C3)Cl)C(=O)OCC(=O)NC4=CC=C(C=C4)I

Isomeric SMILES

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=C(C=C3)Cl)C(=O)OCC(=O)NC4=CC=C(C=C4)I

InChI

InChI=1S/C24H17ClIN3O3/c25-17-8-6-16(7-9-17)23-21(14-29(28-23)20-4-2-1-3-5-20)24(31)32-15-22(30)27-19-12-10-18(26)11-13-19/h1-14H,15H2,(H,27,30)