2-(4-bromophenyl)-6-[(E)-3-oxidanyl-3-oxidanylidene-prop-1-enyl]quinoline-4-carboxylic acid

Systemtic Name: 2-(4-bromophenyl)-6-[(E)-3-oxidanyl-3-oxidanylidene-prop-1-enyl]quinoline-4-carboxylic acid Openeye Name: 2-(4-bromophenyl)-6-[(E)-3-hydroxy-3-oxo-prop-1-enyl]quinoline-4-carboxylic acid CAS Name: 2-(4-bromophenyl)-6-[(E)-3-hydroxy-3-oxoprop-1-enyl]-4-quinolinecarboxylic acid IUPAC Name: 2-(4-bromophenyl)-6-[(E)-3-hydroxy-3-oxoprop-1-enyl]quinoline-4-carboxylic acid Traditional Name: 2-(4-bromophenyl)-6-[(E)-3-hydroxy-3-keto-prop-1-enyl]cinchoninic acid Formula: C19H12BrNO4 MolecularWeight: 398.20688

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=NC3=C(C=C(C=C3)C=CC(=O)O)C(=C2)C(=O)O)Br

Isomeric SMILES

C1=CC(=CC=C1C2=NC3=C(C=C(C=C3)/C=C/C(=O)O)C(=C2)C(=O)O)Br

InChI

InChI=1S/C19H12BrNO4/c20-13-5-3-12(4-6-13)17-10-15(19(24)25)14-9-11(2-8-18(22)23)1-7-16(14)21-17/h1-10H,(H,22,23)(H,24,25)/b8-2+