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

Systemtic Name: [2-oxidanylidene-2-[(phenylmethyl)amino]ethyl] 3-(4-bromophenyl)-1H-pyrazole-5-carboxylate Openeye Name: [2-(benzylamino)-2-oxo-ethyl] 3-(4-bromophenyl)-1H-pyrazole-5-carboxylate CAS Name: 3-(4-bromophenyl)-1H-pyrazole-5-carboxylic acid [2-oxo-2-[(phenylmethyl)amino]ethyl] ester IUPAC Name: [2-(benzylamino)-2-oxoethyl] 3-(4-bromophenyl)-1H-pyrazole-5-carboxylate Traditional Name: 3-(4-bromophenyl)-1H-pyrazole-5-carboxylic acid [2-(benzylamino)-2-keto-ethyl] ester Formula: C19H16BrN3O3 MolecularWeight: 414.25264

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H16BrN3O3/c20-15-8-6-14(7-9-15)16-10-17(23-22-16)19(25)26-12-18(24)21-11-13-4-2-1-3-5-13/h1-10H,11-12H2,(H,21,24)(H,22,23)