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

Systemtic Name: 6-bromanyl-2-[(E)-2-(2,3,4-trimethoxyphenyl)ethenyl]quinoline-4-carboxylate Openeye Name: 6-bromo-2-[(E)-2-(2,3,4-trimethoxyphenyl)vinyl]quinoline-4-carboxylate CAS Name: 6-bromo-2-[(E)-2-(2,3,4-trimethoxyphenyl)ethenyl]-4-quinolinecarboxylate IUPAC Name: 6-bromo-2-[(E)-2-(2,3,4-trimethoxyphenyl)ethenyl]quinoline-4-carboxylate Traditional Name: 6-bromo-2-[(E)-2-(2,3,4-trimethoxyphenyl)vinyl]cinchoninate Formula: C21H17BrNO5- MolecularWeight: 443.26738

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)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)OC

InChI

InChI=1S/C21H18BrNO5/c1-26-18-9-5-12(19(27-2)20(18)28-3)4-7-14-11-16(21(24)25)15-10-13(22)6-8-17(15)23-14/h4-11H,1-3H3,(H,24,25)/p-1/b7-4+