6-bromanyl-2-(3-methylphenyl)quinoline-4-carboxylate

Systemtic Name: 6-bromanyl-2-(3-methylphenyl)quinoline-4-carboxylate Openeye Name: 6-bromo-2-(m-tolyl)quinoline-4-carboxylate CAS Name: 6-bromo-2-(3-methylphenyl)-4-quinolinecarboxylate IUPAC Name: 6-bromo-2-(3-methylphenyl)quinoline-4-carboxylate Traditional Name: 6-bromo-2-(m-tolyl)cinchoninate Formula: C17H11BrNO2- MolecularWeight: 341.17874

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)[O-]

Isomeric SMILES

CC1=CC=CC(=C1)C2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)[O-]

InChI

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