6-bromanyl-3-(phenylcarbonyl)quinoline-4-carboxylate

Systemtic Name: 6-bromanyl-3-(phenylcarbonyl)quinoline-4-carboxylate Openeye Name: 3-benzoyl-6-bromo-quinoline-4-carboxylate CAS Name: 3-benzoyl-6-bromo-4-quinolinecarboxylate IUPAC Name: 3-benzoyl-6-bromoquinoline-4-carboxylate Traditional Name: 3-benzoyl-6-bromo-cinchoninate Formula: C17H9BrNO3- MolecularWeight: 355.16226

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)C2=CN=C3C=CC(=CC3=C2C(=O)[O-])Br

Isomeric SMILES

C1=CC=C(C=C1)C(=O)C2=CN=C3C=CC(=CC3=C2C(=O)[O-])Br

InChI

InChI=1S/C17H10BrNO3/c18-11-6-7-14-12(8-11)15(17(21)22)13(9-19-14)16(20)10-4-2-1-3-5-10/h1-9H,(H,21,22)/p-1