[2-[[2-chloranyl-6-(trifluoromethyl)phenyl]amino]-2-oxidanylidene-ethyl] 5-bromanylpyridine-3-carboxylate

Systemtic Name: [2-[[2-chloranyl-6-(trifluoromethyl)phenyl]amino]-2-oxidanylidene-ethyl] 5-bromanylpyridine-3-carboxylate Openeye Name: [2-[2-chloro-6-(trifluoromethyl)anilino]-2-oxo-ethyl] 5-bromopyridine-3-carboxylate CAS Name: 5-bromo-3-pyridinecarboxylic acid [2-[2-chloro-6-(trifluoromethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[2-chloro-6-(trifluoromethyl)anilino]-2-oxoethyl] 5-bromopyridine-3-carboxylate Traditional Name: 5-bromonicotinic acid [2-[2-chloro-6-(trifluoromethyl)anilino]-2-keto-ethyl] ester Formula: C15H9BrClF3N2O3 MolecularWeight: 437.59577

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H9BrClF3N2O3/c16-9-4-8(5-21-6-9)14(24)25-7-12(23)22-13-10(15(18,19)20)2-1-3-11(13)17/h1-6H,7H2,(H,22,23)