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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)COC(=O)C1=CC(=NN1)C2=CC=C(C=C2)C

Isomeric SMILES

CCC(C)NC(=O)COC(=O)C1=CC(=NN1)C2=CC=C(C=C2)C

InChI

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