[2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 5-bromanylpyridine-3-carboxylate

Systemtic Name: [2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 5-bromanylpyridine-3-carboxylate Openeye Name: [2-(2,6-dimethylanilino)-2-oxo-ethyl] 5-bromopyridine-3-carboxylate CAS Name: 5-bromo-3-pyridinecarboxylic acid [2-(2,6-dimethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2,6-dimethylanilino)-2-oxoethyl] 5-bromopyridine-3-carboxylate Traditional Name: 5-bromonicotinic acid [2-(2,6-dimethylanilino)-2-keto-ethyl] ester Formula: C16H15BrN2O3 MolecularWeight: 363.2059

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)COC(=O)C2=CC(=CN=C2)Br

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)COC(=O)C2=CC(=CN=C2)Br

InChI

InChI=1S/C16H15BrN2O3/c1-10-4-3-5-11(2)15(10)19-14(20)9-22-16(21)12-6-13(17)8-18-7-12/h3-8H,9H2,1-2H3,(H,19,20)