[2-(1,3-benzodioxol-5-yl)-2-oxidanylidene-ethyl] quinoline-2-carboxylate

Systemtic Name: [2-(1,3-benzodioxol-5-yl)-2-oxidanylidene-ethyl] quinoline-2-carboxylate Openeye Name: [2-(1,3-benzodioxol-5-yl)-2-oxo-ethyl] quinoline-2-carboxylate CAS Name: 2-quinolinecarboxylic acid [2-(1,3-benzodioxol-5-yl)-2-oxoethyl] ester IUPAC Name: [2-(1,3-benzodioxol-5-yl)-2-oxoethyl] quinoline-2-carboxylate Traditional Name: quinaldic acid [2-(1,3-benzodioxol-5-yl)-2-keto-ethyl] ester Formula: C19H13NO5 MolecularWeight: 335.31022

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(=O)COC(=O)C3=NC4=CC=CC=C4C=C3

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C(=O)COC(=O)C3=NC4=CC=CC=C4C=C3

InChI

InChI=1S/C19H13NO5/c21-16(13-6-8-17-18(9-13)25-11-24-17)10-23-19(22)15-7-5-12-3-1-2-4-14(12)20-15/h1-9H,10-11H2