[2-[[4-(cyanomethyl)phenyl]amino]-2-oxidanylidene-ethyl] 5-bromanylpyridine-3-carboxylate

Systemtic Name: [2-[[4-(cyanomethyl)phenyl]amino]-2-oxidanylidene-ethyl] 5-bromanylpyridine-3-carboxylate Openeye Name: [2-[4-(cyanomethyl)anilino]-2-oxo-ethyl] 5-bromopyridine-3-carboxylate CAS Name: 5-bromo-3-pyridinecarboxylic acid [2-[4-(cyanomethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[4-(cyanomethyl)anilino]-2-oxoethyl] 5-bromopyridine-3-carboxylate Traditional Name: 5-bromonicotinic acid [2-[4-(cyanomethyl)anilino]-2-keto-ethyl] ester Formula: C16H12BrN3O3 MolecularWeight: 374.18878

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC#N)NC(=O)COC(=O)C2=CC(=CN=C2)Br

Isomeric SMILES

C1=CC(=CC=C1CC#N)NC(=O)COC(=O)C2=CC(=CN=C2)Br

InChI

InChI=1S/C16H12BrN3O3/c17-13-7-12(8-19-9-13)16(22)23-10-15(21)20-14-3-1-11(2-4-14)5-6-18/h1-4,7-9H,5,10H2,(H,20,21)