[2-oxidanylidene-2-[(2,4,6-trimethylphenyl)amino]ethyl] 1-phenylpyrazole-4-carboxylate

Systemtic Name: [2-oxidanylidene-2-[(2,4,6-trimethylphenyl)amino]ethyl] 1-phenylpyrazole-4-carboxylate Openeye Name: [2-oxo-2-(2,4,6-trimethylanilino)ethyl] 1-phenylpyrazole-4-carboxylate CAS Name: 1-phenyl-4-pyrazolecarboxylic acid [2-oxo-2-(2,4,6-trimethylanilino)ethyl] ester IUPAC Name: [2-oxo-2-(2,4,6-trimethylanilino)ethyl] 1-phenylpyrazole-4-carboxylate Traditional Name: 1-phenylpyrazole-4-carboxylic acid (2-keto-2-mesidino-ethyl) ester Formula: C21H21N3O3 MolecularWeight: 363.40974

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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