6-bromanyl-2-[(E)-2-(2,4-dimethoxyphenyl)ethenyl]quinoline-4-carboxylic acid

Systemtic Name: 6-bromanyl-2-[(E)-2-(2,4-dimethoxyphenyl)ethenyl]quinoline-4-carboxylic acid Openeye Name: 6-bromo-2-[(E)-2-(2,4-dimethoxyphenyl)vinyl]quinoline-4-carboxylic acid CAS Name: 6-bromo-2-[(E)-2-(2,4-dimethoxyphenyl)ethenyl]-4-quinolinecarboxylic acid IUPAC Name: 6-bromo-2-[(E)-2-(2,4-dimethoxyphenyl)ethenyl]quinoline-4-carboxylic acid Traditional Name: 6-bromo-2-[(E)-2-(2,4-dimethoxyphenyl)vinyl]cinchoninic acid Formula: C20H16BrNO4 MolecularWeight: 414.24934

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C=CC2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)O)OC

Isomeric SMILES

COC1=CC(=C(C=C1)/C=C/C2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)O)OC

InChI

InChI=1S/C20H16BrNO4/c1-25-15-7-4-12(19(11-15)26-2)3-6-14-10-17(20(23)24)16-9-13(21)5-8-18(16)22-14/h3-11H,1-2H3,(H,23,24)/b6-3+