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

Systemtic Name: 6-bromanyl-2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]quinoline-4-carboxylate Openeye Name: 6-bromo-2-[(E)-2-(3,4-dimethoxyphenyl)vinyl]quinoline-4-carboxylate CAS Name: 6-bromo-2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-4-quinolinecarboxylate IUPAC Name: 6-bromo-2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]quinoline-4-carboxylate Traditional Name: 6-bromo-2-[(E)-2-(3,4-dimethoxyphenyl)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=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)/p-1/b6-3+