[2-oxidanylidene-2-[(2,4,6-trimethylphenyl)amino]ethyl] 4-pyrazol-1-ylbenzoate

Systemtic Name: [2-oxidanylidene-2-[(2,4,6-trimethylphenyl)amino]ethyl] 4-pyrazol-1-ylbenzoate Openeye Name: [2-oxo-2-(2,4,6-trimethylanilino)ethyl] 4-pyrazol-1-ylbenzoate CAS Name: 4-(1-pyrazolyl)benzoic acid [2-oxo-2-(2,4,6-trimethylanilino)ethyl] ester IUPAC Name: [2-oxo-2-(2,4,6-trimethylanilino)ethyl] 4-pyrazol-1-ylbenzoate Traditional Name: 4-pyrazol-1-ylbenzoic 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=CC=C(C=C2)N3C=CC=N3)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)NC(=O)COC(=O)C2=CC=C(C=C2)N3C=CC=N3)C

InChI

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