[1-oxidanylidene-1-(prop-2-enylamino)propan-2-yl] 3-(4-bromophenyl)-1H-pyrazole-5-carboxylate

Systemtic Name: [1-oxidanylidene-1-(prop-2-enylamino)propan-2-yl] 3-(4-bromophenyl)-1H-pyrazole-5-carboxylate Openeye Name: [2-(allylamino)-1-methyl-2-oxo-ethyl] 3-(4-bromophenyl)-1H-pyrazole-5-carboxylate CAS Name: 3-(4-bromophenyl)-1H-pyrazole-5-carboxylic acid [1-oxo-1-(prop-2-enylamino)propan-2-yl] ester IUPAC Name: [1-oxo-1-(prop-2-enylamino)propan-2-yl] 3-(4-bromophenyl)-1H-pyrazole-5-carboxylate Traditional Name: 3-(4-bromophenyl)-1H-pyrazole-5-carboxylic acid [2-(allylamino)-2-keto-1-methyl-ethyl] ester Formula: C16H16BrN3O3 MolecularWeight: 378.22054

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC=C)OC(=O)C1=CC(=NN1)C2=CC=C(C=C2)Br

Isomeric SMILES

CC(C(=O)NCC=C)OC(=O)C1=CC(=NN1)C2=CC=C(C=C2)Br

InChI

InChI=1S/C16H16BrN3O3/c1-3-8-18-15(21)10(2)23-16(22)14-9-13(19-20-14)11-4-6-12(17)7-5-11/h3-7,9-10H,1,8H2,2H3,(H,18,21)(H,19,20)