2-[(E)-2-[3-methoxy-4-(2-oxidanidyl-2-oxidanylidene-ethoxy)phenyl]ethenyl]quinoline-4-carboxylate

Systemtic Name: 2-[(E)-2-[3-methoxy-4-(2-oxidanidyl-2-oxidanylidene-ethoxy)phenyl]ethenyl]quinoline-4-carboxylate Openeye Name: 2-[(E)-2-[3-methoxy-4-(2-oxido-2-oxo-ethoxy)phenyl]vinyl]quinoline-4-carboxylate CAS Name: 2-[(E)-2-[3-methoxy-4-(2-oxido-2-oxoethoxy)phenyl]ethenyl]-4-quinolinecarboxylate IUPAC Name: 2-[(E)-2-[3-methoxy-4-(2-oxido-2-oxoethoxy)phenyl]ethenyl]quinoline-4-carboxylate Traditional Name: 2-[(E)-2-[4-(2-keto-2-oxido-ethoxy)-3-methoxy-phenyl]vinyl]cinchoninate Formula: C21H15NO6-2 MolecularWeight: 377.3469

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H17NO6/c1-27-19-10-13(7-9-18(19)28-12-20(23)24)6-8-14-11-16(21(25)26)15-4-2-3-5-17(15)22-14/h2-11H,12H2,1H3,(H,23,24)(H,25,26)/p-2/b8-6+