5-bromanyl-2-(3-hydroxyphenyl)quinoline-4-carboxylate

Systemtic Name: 5-bromanyl-2-(3-hydroxyphenyl)quinoline-4-carboxylate Openeye Name: 5-bromo-2-(3-hydroxyphenyl)quinoline-4-carboxylate CAS Name: 5-bromo-2-(3-hydroxyphenyl)-4-quinolinecarboxylate IUPAC Name: 5-bromo-2-(3-hydroxyphenyl)quinoline-4-carboxylate Traditional Name: 5-bromo-2-(3-hydroxyphenyl)cinchoninate Formula: C16H9BrNO3- MolecularWeight: 343.15156

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H10BrNO3/c17-12-5-2-6-13-15(12)11(16(20)21)8-14(18-13)9-3-1-4-10(19)7-9/h1-8,19H,(H,20,21)/p-1