2-[(E)-2-(2-bromanyl-4,5-dimethoxy-phenyl)ethenyl]quinoline-4-carboxylate

Systemtic Name: 2-[(E)-2-(2-bromanyl-4,5-dimethoxy-phenyl)ethenyl]quinoline-4-carboxylate Openeye Name: 2-[(E)-2-(2-bromo-4,5-dimethoxy-phenyl)vinyl]quinoline-4-carboxylate CAS Name: 2-[(E)-2-(2-bromo-4,5-dimethoxyphenyl)ethenyl]-4-quinolinecarboxylate IUPAC Name: 2-[(E)-2-(2-bromo-4,5-dimethoxyphenyl)ethenyl]quinoline-4-carboxylate Traditional Name: 2-[(E)-2-(2-bromo-4,5-dimethoxy-phenyl)vinyl]cinchoninate Formula: C20H15BrNO4- MolecularWeight: 413.2414

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C=CC2=NC3=CC=CC=C3C(=C2)C(=O)[O-])Br)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)/C=C/C2=NC3=CC=CC=C3C(=C2)C(=O)[O-])Br)OC

InChI

InChI=1S/C20H16BrNO4/c1-25-18-9-12(16(21)11-19(18)26-2)7-8-13-10-15(20(23)24)14-5-3-4-6-17(14)22-13/h3-11H,1-2H3,(H,23,24)/p-1/b8-7+