[1-[(2-methylphenyl)amino]-1-oxidanylidene-propan-2-yl] 1,3,5-trimethylpyrazole-4-carboxylate

Systemtic Name: [1-[(2-methylphenyl)amino]-1-oxidanylidene-propan-2-yl] 1,3,5-trimethylpyrazole-4-carboxylate Openeye Name: [1-methyl-2-(2-methylanilino)-2-oxo-ethyl] 1,3,5-trimethylpyrazole-4-carboxylate CAS Name: 1,3,5-trimethyl-4-pyrazolecarboxylic acid [1-(2-methylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2-methylanilino)-1-oxopropan-2-yl] 1,3,5-trimethylpyrazole-4-carboxylate Traditional Name: 1,3,5-trimethylpyrazole-4-carboxylic acid [2-keto-1-methyl-2-(o-toluidino)ethyl] ester Formula: C17H21N3O3 MolecularWeight: 315.36694

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)C(C)OC(=O)C2=C(N(N=C2C)C)C

Isomeric SMILES

CC1=CC=CC=C1NC(=O)C(C)OC(=O)C2=C(N(N=C2C)C)C

InChI

InChI=1S/C17H21N3O3/c1-10-8-6-7-9-14(10)18-16(21)13(4)23-17(22)15-11(2)19-20(5)12(15)3/h6-9,13H,1-5H3,(H,18,21)