methyl 6-bromanyl-2-(trifluoromethyl)quinoline-4-carboxylate

Systemtic Name: methyl 6-bromanyl-2-(trifluoromethyl)quinoline-4-carboxylate Openeye Name: methyl 6-bromo-2-(trifluoromethyl)quinoline-4-carboxylate CAS Name: 6-bromo-2-(trifluoromethyl)-4-quinolinecarboxylic acid methyl ester IUPAC Name: methyl 6-bromo-2-(trifluoromethyl)quinoline-4-carboxylate Traditional Name: 6-bromo-2-(trifluoromethyl)cinchoninic acid methyl ester Formula: C12H7BrF3NO2 MolecularWeight: 334.08869

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=NC2=C1C=C(C=C2)Br)C(F)(F)F

Isomeric SMILES

COC(=O)C1=CC(=NC2=C1C=C(C=C2)Br)C(F)(F)F

InChI

InChI=1S/C12H7BrF3NO2/c1-19-11(18)8-5-10(12(14,15)16)17-9-3-2-6(13)4-7(8)9/h2-5H,1H3