[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl] 3,5-dimethyl-1-phenyl-pyrazole-4-carboxylate

Systemtic Name: [2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl] 3,5-dimethyl-1-phenyl-pyrazole-4-carboxylate Openeye Name: [2-(4-methylanilino)-2-oxo-ethyl] 3,5-dimethyl-1-phenyl-pyrazole-4-carboxylate CAS Name: 3,5-dimethyl-1-phenyl-4-pyrazolecarboxylic acid [2-(4-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-methylanilino)-2-oxoethyl] 3,5-dimethyl-1-phenylpyrazole-4-carboxylate Traditional Name: 3,5-dimethyl-1-phenyl-pyrazole-4-carboxylic acid [2-keto-2-(p-toluidino)ethyl] ester Formula: C21H21N3O3 MolecularWeight: 363.40974

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)COC(=O)C2=C(N(N=C2C)C3=CC=CC=C3)C

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)COC(=O)C2=C(N(N=C2C)C3=CC=CC=C3)C

InChI

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