[2-[(4-ethylphenyl)amino]-2-oxidanylidene-ethyl] 3-(4-methylphenyl)-1H-pyrazole-5-carboxylate

Systemtic Name: [2-[(4-ethylphenyl)amino]-2-oxidanylidene-ethyl] 3-(4-methylphenyl)-1H-pyrazole-5-carboxylate Openeye Name: [2-(4-ethylanilino)-2-oxo-ethyl] 3-(p-tolyl)-1H-pyrazole-5-carboxylate CAS Name: 3-(4-methylphenyl)-1H-pyrazole-5-carboxylic acid [2-(4-ethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-ethylanilino)-2-oxoethyl] 3-(4-methylphenyl)-1H-pyrazole-5-carboxylate Traditional Name: 3-(p-tolyl)-1H-pyrazole-5-carboxylic acid [2-(4-ethylanilino)-2-keto-ethyl] ester Formula: C21H21N3O3 MolecularWeight: 363.40974

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)COC(=O)C2=CC(=NN2)C3=CC=C(C=C3)C

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)COC(=O)C2=CC(=NN2)C3=CC=C(C=C3)C

InChI

InChI=1S/C21H21N3O3/c1-3-15-6-10-17(11-7-15)22-20(25)13-27-21(26)19-12-18(23-24-19)16-8-4-14(2)5-9-16/h4-12H,3,13H2,1-2H3,(H,22,25)(H,23,24)