[2-[3,4-bis(oxidanyl)phenyl]-2-oxidanylidene-ethyl] 2,6,8-trimethylquinoline-4-carboxylate

Systemtic Name: [2-[3,4-bis(oxidanyl)phenyl]-2-oxidanylidene-ethyl] 2,6,8-trimethylquinoline-4-carboxylate Openeye Name: [2-(3,4-dihydroxyphenyl)-2-oxo-ethyl] 2,6,8-trimethylquinoline-4-carboxylate CAS Name: 2,6,8-trimethyl-4-quinolinecarboxylic acid [2-(3,4-dihydroxyphenyl)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dihydroxyphenyl)-2-oxoethyl] 2,6,8-trimethylquinoline-4-carboxylate Traditional Name: 2,6,8-trimethylcinchoninic acid [2-(3,4-dihydroxyphenyl)-2-keto-ethyl] ester Formula: C21H19NO5 MolecularWeight: 365.37926

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)C(=CC(=N2)C)C(=O)OCC(=O)C3=CC(=C(C=C3)O)O)C

Isomeric SMILES

CC1=CC(=C2C(=C1)C(=CC(=N2)C)C(=O)OCC(=O)C3=CC(=C(C=C3)O)O)C

InChI

InChI=1S/C21H19NO5/c1-11-6-12(2)20-15(7-11)16(8-13(3)22-20)21(26)27-10-19(25)14-4-5-17(23)18(24)9-14/h4-9,23-24H,10H2,1-3H3