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

Systemtic Name: [2-oxidanylidene-2-(propan-2-ylamino)ethyl] 3-(4-bromophenyl)-1H-pyrazole-5-carboxylate Openeye Name: [2-(isopropylamino)-2-oxo-ethyl] 3-(4-bromophenyl)-1H-pyrazole-5-carboxylate CAS Name: 3-(4-bromophenyl)-1H-pyrazole-5-carboxylic acid [2-oxo-2-(propan-2-ylamino)ethyl] ester IUPAC Name: [2-oxo-2-(propan-2-ylamino)ethyl] 3-(4-bromophenyl)-1H-pyrazole-5-carboxylate Traditional Name: 3-(4-bromophenyl)-1H-pyrazole-5-carboxylic acid [2-(isopropylamino)-2-keto-ethyl] ester Formula: C15H16BrN3O3 MolecularWeight: 366.20984

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H16BrN3O3/c1-9(2)17-14(20)8-22-15(21)13-7-12(18-19-13)10-3-5-11(16)6-4-10/h3-7,9H,8H2,1-2H3,(H,17,20)(H,18,19)