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

Systemtic Name: [2-oxidanylidene-2-[(2,4,6-trimethylphenyl)amino]ethyl] 5-methyl-1-phenyl-pyrazole-4-carboxylate Openeye Name: [2-oxo-2-(2,4,6-trimethylanilino)ethyl] 5-methyl-1-phenyl-pyrazole-4-carboxylate CAS Name: 5-methyl-1-phenyl-4-pyrazolecarboxylic acid [2-oxo-2-(2,4,6-trimethylanilino)ethyl] ester IUPAC Name: [2-oxo-2-(2,4,6-trimethylanilino)ethyl] 5-methyl-1-phenylpyrazole-4-carboxylate Traditional Name: 5-methyl-1-phenyl-pyrazole-4-carboxylic acid (2-keto-2-mesidino-ethyl) ester Formula: C22H23N3O3 MolecularWeight: 377.43632

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23N3O3/c1-14-10-15(2)21(16(3)11-14)24-20(26)13-28-22(27)19-12-23-25(17(19)4)18-8-6-5-7-9-18/h5-12H,13H2,1-4H3,(H,24,26)