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

Systemtic Name: [2-oxidanylidene-2-[[2-(phenylmethyl)phenyl]amino]ethyl] 5-bromanylpyridine-3-carboxylate Openeye Name: [2-(2-benzylanilino)-2-oxo-ethyl] 5-bromopyridine-3-carboxylate CAS Name: 5-bromo-3-pyridinecarboxylic acid [2-oxo-2-[2-(phenylmethyl)anilino]ethyl] ester IUPAC Name: [2-(2-benzylanilino)-2-oxoethyl] 5-bromopyridine-3-carboxylate Traditional Name: 5-bromonicotinic acid [2-(2-benzylanilino)-2-keto-ethyl] ester Formula: C21H17BrN2O3 MolecularWeight: 425.27528

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=CC=CC=C2NC(=O)COC(=O)C3=CC(=CN=C3)Br

Isomeric SMILES

C1=CC=C(C=C1)CC2=CC=CC=C2NC(=O)COC(=O)C3=CC(=CN=C3)Br

InChI

InChI=1S/C21H17BrN2O3/c22-18-11-17(12-23-13-18)21(26)27-14-20(25)24-19-9-5-4-8-16(19)10-15-6-2-1-3-7-15/h1-9,11-13H,10,14H2,(H,24,25)