[1-[(2-methylphenyl)amino]-1-oxidanylidene-propan-2-yl] 1-(phenylmethyl)pyrazole-4-carboxylate

Systemtic Name: [1-[(2-methylphenyl)amino]-1-oxidanylidene-propan-2-yl] 1-(phenylmethyl)pyrazole-4-carboxylate Openeye Name: [1-methyl-2-(2-methylanilino)-2-oxo-ethyl] 1-benzylpyrazole-4-carboxylate CAS Name: 1-(phenylmethyl)-4-pyrazolecarboxylic acid [1-(2-methylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2-methylanilino)-1-oxopropan-2-yl] 1-benzylpyrazole-4-carboxylate Traditional Name: 1-benzylpyrazole-4-carboxylic acid [2-keto-1-methyl-2-(o-toluidino)ethyl] ester Formula: C21H21N3O3 MolecularWeight: 363.40974

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)C(C)OC(=O)C2=CN(N=C2)CC3=CC=CC=C3

Isomeric SMILES

CC1=CC=CC=C1NC(=O)C(C)OC(=O)C2=CN(N=C2)CC3=CC=CC=C3

InChI

InChI=1S/C21H21N3O3/c1-15-8-6-7-11-19(15)23-20(25)16(2)27-21(26)18-12-22-24(14-18)13-17-9-4-3-5-10-17/h3-12,14,16H,13H2,1-2H3,(H,23,25)