[2-oxidanylidene-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl] 2,4,6-trimethylbenzoate

Systemtic Name: [2-oxidanylidene-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl] 2,4,6-trimethylbenzoate Openeye Name: [2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl] 2,4,6-trimethylbenzoate CAS Name: 2,4,6-trimethylbenzoic acid [2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl] ester IUPAC Name: [2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl] 2,4,6-trimethylbenzoate Traditional Name: 2,4,6-trimethylbenzoic acid [2-keto-2-(3-phenyl-2-pyrazolin-1-yl)ethyl] ester Formula: C21H22N2O3 MolecularWeight: 350.41098

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)C(=O)OCC(=O)N2CCC(=N2)C3=CC=CC=C3)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)C(=O)OCC(=O)N2CCC(=N2)C3=CC=CC=C3)C

InChI

InChI=1S/C21H22N2O3/c1-14-11-15(2)20(16(3)12-14)21(25)26-13-19(24)23-10-9-18(22-23)17-7-5-4-6-8-17/h4-8,11-12H,9-10,13H2,1-3H3