[2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 5-methyl-1-phenyl-pyrazole-4-carboxylate

Systemtic Name: [2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 5-methyl-1-phenyl-pyrazole-4-carboxylate Openeye Name: [2-(2,6-dimethylanilino)-2-oxo-ethyl] 5-methyl-1-phenyl-pyrazole-4-carboxylate CAS Name: 5-methyl-1-phenyl-4-pyrazolecarboxylic acid [2-(2,6-dimethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2,6-dimethylanilino)-2-oxoethyl] 5-methyl-1-phenylpyrazole-4-carboxylate Traditional Name: 5-methyl-1-phenyl-pyrazole-4-carboxylic acid [2-(2,6-dimethylanilino)-2-keto-ethyl] ester Formula: C21H21N3O3 MolecularWeight: 363.40974

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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