[2-oxidanylidene-2-[(2-propan-2-ylphenyl)amino]ethyl] 3-(4-chlorophenyl)-1H-pyrazole-5-carboxylate

Systemtic Name: [2-oxidanylidene-2-[(2-propan-2-ylphenyl)amino]ethyl] 3-(4-chlorophenyl)-1H-pyrazole-5-carboxylate Openeye Name: [2-(2-isopropylanilino)-2-oxo-ethyl] 3-(4-chlorophenyl)-1H-pyrazole-5-carboxylate CAS Name: 3-(4-chlorophenyl)-1H-pyrazole-5-carboxylic acid [2-oxo-2-(2-propan-2-ylanilino)ethyl] ester IUPAC Name: [2-oxo-2-(2-propan-2-ylanilino)ethyl] 3-(4-chlorophenyl)-1H-pyrazole-5-carboxylate Traditional Name: 3-(4-chlorophenyl)-1H-pyrazole-5-carboxylic acid [2-(2-isopropylanilino)-2-keto-ethyl] ester Formula: C21H20ClN3O3 MolecularWeight: 397.8548

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1NC(=O)COC(=O)C2=CC(=NN2)C3=CC=C(C=C3)Cl

Isomeric SMILES

CC(C)C1=CC=CC=C1NC(=O)COC(=O)C2=CC(=NN2)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H20ClN3O3/c1-13(2)16-5-3-4-6-17(16)23-20(26)12-28-21(27)19-11-18(24-25-19)14-7-9-15(22)10-8-14/h3-11,13H,12H2,1-2H3,(H,23,26)(H,24,25)