[2-[(4-methylphenyl)methylamino]-2-oxidanylidene-ethyl] 1-ethyl-3-methyl-pyrazole-4-carboxylate

Systemtic Name: [2-[(4-methylphenyl)methylamino]-2-oxidanylidene-ethyl] 1-ethyl-3-methyl-pyrazole-4-carboxylate Openeye Name: [2-oxo-2-(p-tolylmethylamino)ethyl] 1-ethyl-3-methyl-pyrazole-4-carboxylate CAS Name: 1-ethyl-3-methyl-4-pyrazolecarboxylic acid [2-[(4-methylphenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(4-methylphenyl)methylamino]-2-oxoethyl] 1-ethyl-3-methylpyrazole-4-carboxylate Traditional Name: 1-ethyl-3-methyl-pyrazole-4-carboxylic acid [2-keto-2-[(4-methylbenzyl)amino]ethyl] ester Formula: C17H21N3O3 MolecularWeight: 315.36694

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=N1)C)C(=O)OCC(=O)NCC2=CC=C(C=C2)C

Isomeric SMILES

CCN1C=C(C(=N1)C)C(=O)OCC(=O)NCC2=CC=C(C=C2)C

InChI

InChI=1S/C17H21N3O3/c1-4-20-10-15(13(3)19-20)17(22)23-11-16(21)18-9-14-7-5-12(2)6-8-14/h5-8,10H,4,9,11H2,1-3H3,(H,18,21)