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

Systemtic Name: [2-oxidanylidene-2-(2-phenylethanoylamino)ethyl] 3-(4-bromophenyl)-1H-pyrazole-5-carboxylate Openeye Name: [2-oxo-2-[(2-phenylacetyl)amino]ethyl] 3-(4-bromophenyl)-1H-pyrazole-5-carboxylate CAS Name: 3-(4-bromophenyl)-1H-pyrazole-5-carboxylic acid [2-oxo-2-[(1-oxo-2-phenylethyl)amino]ethyl] ester IUPAC Name: [2-oxo-2-[(2-phenylacetyl)amino]ethyl] 3-(4-bromophenyl)-1H-pyrazole-5-carboxylate Traditional Name: 3-(4-bromophenyl)-1H-pyrazole-5-carboxylic acid [2-keto-2-[(2-phenylacetyl)amino]ethyl] ester Formula: C20H16BrN3O4 MolecularWeight: 442.26274

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(=O)NC(=O)COC(=O)C2=CC(=NN2)C3=CC=C(C=C3)Br

Isomeric SMILES

C1=CC=C(C=C1)CC(=O)NC(=O)COC(=O)C2=CC(=NN2)C3=CC=C(C=C3)Br

InChI

InChI=1S/C20H16BrN3O4/c21-15-8-6-14(7-9-15)16-11-17(24-23-16)20(27)28-12-19(26)22-18(25)10-13-4-2-1-3-5-13/h1-9,11H,10,12H2,(H,23,24)(H,22,25,26)