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

Systemtic Name: [2-[(2-ethoxyphenyl)amino]-2-oxidanylidene-ethyl] 3-(4-methylphenyl)-1H-pyrazole-5-carboxylate Openeye Name: [2-(2-ethoxyanilino)-2-oxo-ethyl] 3-(p-tolyl)-1H-pyrazole-5-carboxylate CAS Name: 3-(4-methylphenyl)-1H-pyrazole-5-carboxylic acid [2-(2-ethoxyanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-ethoxyanilino)-2-oxoethyl] 3-(4-methylphenyl)-1H-pyrazole-5-carboxylate Traditional Name: 3-(p-tolyl)-1H-pyrazole-5-carboxylic acid [2-keto-2-(o-phenetidino)ethyl] ester Formula: C21H21N3O4 MolecularWeight: 379.40914

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1NC(=O)COC(=O)C2=CC(=NN2)C3=CC=C(C=C3)C

Isomeric SMILES

CCOC1=CC=CC=C1NC(=O)COC(=O)C2=CC(=NN2)C3=CC=C(C=C3)C

InChI

InChI=1S/C21H21N3O4/c1-3-27-19-7-5-4-6-16(19)22-20(25)13-28-21(26)18-12-17(23-24-18)15-10-8-14(2)9-11-15/h4-12H,3,13H2,1-2H3,(H,22,25)(H,23,24)