5-bromanyl-2-oxidanyl-3-[(E)-3-[3-[(E)-2-quinolin-2-ylethenyl]phenyl]prop-2-enoyl]benzoic acid

Systemtic Name: 5-bromanyl-2-oxidanyl-3-[(E)-3-[3-[(E)-2-quinolin-2-ylethenyl]phenyl]prop-2-enoyl]benzoic acid Openeye Name: 5-bromo-2-hydroxy-3-[(E)-3-[3-[(E)-2-(2-quinolyl)vinyl]phenyl]prop-2-enoyl]benzoic acid CAS Name: 5-bromo-2-hydroxy-3-[(E)-1-oxo-3-[3-[(E)-2-(2-quinolinyl)ethenyl]phenyl]prop-2-enyl]benzoic acid IUPAC Name: 5-bromo-2-hydroxy-3-[(E)-3-[3-[(E)-2-quinolin-2-ylethenyl]phenyl]prop-2-enoyl]benzoic acid Traditional Name: 5-bromo-2-hydroxy-3-[(E)-3-[3-[(E)-2-(2-quinolyl)vinyl]phenyl]acryloyl]benzoic acid Formula: C27H18BrNO4 MolecularWeight: 500.34012

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC(=N2)C=CC3=CC(=CC=C3)C=CC(=O)C4=CC(=CC(=C4O)C(=O)O)Br

Isomeric SMILES

C1=CC=C2C(=C1)C=CC(=N2)/C=C/C3=CC(=CC=C3)/C=C/C(=O)C4=CC(=CC(=C4O)C(=O)O)Br

InChI

InChI=1S/C27H18BrNO4/c28-20-15-22(26(31)23(16-20)27(32)33)25(30)13-9-18-5-3-4-17(14-18)8-11-21-12-10-19-6-1-2-7-24(19)29-21/h1-16,31H,(H,32,33)/b11-8+,13-9+