2-[(E)-2-(7-methoxy-1,3-benzodioxol-5-yl)ethenyl]quinoline-4-carboxylate

Systemtic Name: 2-[(E)-2-(7-methoxy-1,3-benzodioxol-5-yl)ethenyl]quinoline-4-carboxylate Openeye Name: 2-[(E)-2-(7-methoxy-1,3-benzodioxol-5-yl)vinyl]quinoline-4-carboxylate CAS Name: 2-[(E)-2-(7-methoxy-1,3-benzodioxol-5-yl)ethenyl]-4-quinolinecarboxylate IUPAC Name: 2-[(E)-2-(7-methoxy-1,3-benzodioxol-5-yl)ethenyl]quinoline-4-carboxylate Traditional Name: 2-[(E)-2-(7-methoxy-1,3-benzodioxol-5-yl)vinyl]cinchoninate Formula: C20H14NO5- MolecularWeight: 348.32886

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC2=C1OCO2)C=CC3=NC4=CC=CC=C4C(=C3)C(=O)[O-]

Isomeric SMILES

COC1=CC(=CC2=C1OCO2)/C=C/C3=NC4=CC=CC=C4C(=C3)C(=O)[O-]

InChI

InChI=1S/C20H15NO5/c1-24-17-8-12(9-18-19(17)26-11-25-18)6-7-13-10-15(20(22)23)14-4-2-3-5-16(14)21-13/h2-10H,11H2,1H3,(H,22,23)/p-1/b7-6+