6-bromanyl-2-(2-methylphenyl)quinoline-4-carboxylate

Systemtic Name: 6-bromanyl-2-(2-methylphenyl)quinoline-4-carboxylate Openeye Name: 6-bromo-2-(o-tolyl)quinoline-4-carboxylate CAS Name: 6-bromo-2-(2-methylphenyl)-4-quinolinecarboxylate IUPAC Name: 6-bromo-2-(2-methylphenyl)quinoline-4-carboxylate Traditional Name: 6-bromo-2-(o-tolyl)cinchoninate Formula: C17H11BrNO2- MolecularWeight: 341.17874

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1C2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)[O-]

InChI

InChI=1S/C17H12BrNO2/c1-10-4-2-3-5-12(10)16-9-14(17(20)21)13-8-11(18)6-7-15(13)19-16/h2-9H,1H3,(H,20,21)/p-1