[2-(butylamino)-2-oxidanylidene-ethyl] 3-(4-methylphenyl)-1H-pyrazole-5-carboxylate

Systemtic Name: [2-(butylamino)-2-oxidanylidene-ethyl] 3-(4-methylphenyl)-1H-pyrazole-5-carboxylate Openeye Name: [2-(butylamino)-2-oxo-ethyl] 3-(p-tolyl)-1H-pyrazole-5-carboxylate CAS Name: 3-(4-methylphenyl)-1H-pyrazole-5-carboxylic acid [2-(butylamino)-2-oxoethyl] ester IUPAC Name: [2-(butylamino)-2-oxoethyl] 3-(4-methylphenyl)-1H-pyrazole-5-carboxylate Traditional Name: 3-(p-tolyl)-1H-pyrazole-5-carboxylic acid [2-(butylamino)-2-keto-ethyl] ester Formula: C17H21N3O3 MolecularWeight: 315.36694

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)COC(=O)C1=CC(=NN1)C2=CC=C(C=C2)C

Isomeric SMILES

CCCCNC(=O)COC(=O)C1=CC(=NN1)C2=CC=C(C=C2)C

InChI

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