6-bromanyl-2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]quinoline-4-carboxylic acid

Systemtic Name: 6-bromanyl-2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]quinoline-4-carboxylic acid Openeye Name: 6-bromo-2-[(E)-2-(3,4-dimethoxyphenyl)vinyl]quinoline-4-carboxylic acid CAS Name: 6-bromo-2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-4-quinolinecarboxylic acid IUPAC Name: 6-bromo-2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]quinoline-4-carboxylic acid Traditional Name: 6-bromo-2-[(E)-2-(3,4-dimethoxyphenyl)vinyl]cinchoninic acid Formula: C20H16BrNO4 MolecularWeight: 414.24934

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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