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

Systemtic Name: [2-[(diphenylmethyl)amino]-2-oxidanylidene-ethyl] 5-bromanylpyridine-3-carboxylate Openeye Name: [2-(benzhydrylamino)-2-oxo-ethyl] 5-bromopyridine-3-carboxylate CAS Name: 5-bromo-3-pyridinecarboxylic acid [2-[(diphenylmethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-(benzhydrylamino)-2-oxoethyl] 5-bromopyridine-3-carboxylate Traditional Name: 5-bromonicotinic acid [2-(benzhydrylamino)-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)C(C2=CC=CC=C2)NC(=O)COC(=O)C3=CC(=CN=C3)Br

Isomeric SMILES

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

InChI

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