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

Systemtic Name: 6-bromanyl-2-(3-methoxyphenyl)quinoline-4-carboxylate Openeye Name: 6-bromo-2-(3-methoxyphenyl)quinoline-4-carboxylate CAS Name: 6-bromo-2-(3-methoxyphenyl)-4-quinolinecarboxylate IUPAC Name: 6-bromo-2-(3-methoxyphenyl)quinoline-4-carboxylate Traditional Name: 6-bromo-2-(3-methoxyphenyl)cinchoninate Formula: C17H11BrNO3- MolecularWeight: 357.17814

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)[O-]

Isomeric SMILES

COC1=CC=CC(=C1)C2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)[O-]

InChI

InChI=1S/C17H12BrNO3/c1-22-12-4-2-3-10(7-12)16-9-14(17(20)21)13-8-11(18)5-6-15(13)19-16/h2-9H,1H3,(H,20,21)/p-1