[2-[(3-ethanoylphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 5-bromanylpyridine-3-carboxylate

Systemtic Name: [2-[(3-ethanoylphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 5-bromanylpyridine-3-carboxylate Openeye Name: [2-(3-acetylanilino)-2-oxo-1-phenyl-ethyl] 5-bromopyridine-3-carboxylate CAS Name: 5-bromo-3-pyridinecarboxylic acid [2-(3-acetylanilino)-2-oxo-1-phenylethyl] ester IUPAC Name: [2-(3-acetylanilino)-2-oxo-1-phenylethyl] 5-bromopyridine-3-carboxylate Traditional Name: 5-bromonicotinic acid [2-(3-acetylanilino)-2-keto-1-phenyl-ethyl] ester Formula: C22H17BrN2O4 MolecularWeight: 453.28538

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)NC(=O)C(C2=CC=CC=C2)OC(=O)C3=CC(=CN=C3)Br

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)NC(=O)C(C2=CC=CC=C2)OC(=O)C3=CC(=CN=C3)Br

InChI

InChI=1S/C22H17BrN2O4/c1-14(26)16-8-5-9-19(11-16)25-21(27)20(15-6-3-2-4-7-15)29-22(28)17-10-18(23)13-24-12-17/h2-13,20H,1H3,(H,25,27)