[2-[(4-bromophenyl)amino]-2-oxidanylidene-ethyl] 4-(2-cyanoethanoylamino)benzoate

Systemtic Name: [2-[(4-bromophenyl)amino]-2-oxidanylidene-ethyl] 4-(2-cyanoethanoylamino)benzoate Openeye Name: [2-(4-bromoanilino)-2-oxo-ethyl] 4-[(2-cyanoacetyl)amino]benzoate CAS Name: 4-[(2-cyano-1-oxoethyl)amino]benzoic acid [2-(4-bromoanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-bromoanilino)-2-oxoethyl] 4-[(2-cyanoacetyl)amino]benzoate Traditional Name: 4-[(2-cyanoacetyl)amino]benzoic acid [2-(4-bromoanilino)-2-keto-ethyl] ester Formula: C18H14BrN3O4 MolecularWeight: 416.22546

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)OCC(=O)NC2=CC=C(C=C2)Br)NC(=O)CC#N

Isomeric SMILES

C1=CC(=CC=C1C(=O)OCC(=O)NC2=CC=C(C=C2)Br)NC(=O)CC#N

InChI

InChI=1S/C18H14BrN3O4/c19-13-3-7-15(8-4-13)22-17(24)11-26-18(25)12-1-5-14(6-2-12)21-16(23)9-10-20/h1-8H,9,11H2,(H,21,23)(H,22,24)