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

Systemtic Name: [1-(1,3-benzodioxol-5-ylamino)-1-oxidanylidene-propan-2-yl] quinoline-2-carboxylate Openeye Name: [2-(1,3-benzodioxol-5-ylamino)-1-methyl-2-oxo-ethyl] quinoline-2-carboxylate CAS Name: 2-quinolinecarboxylic acid [1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl] quinoline-2-carboxylate Traditional Name: quinaldic acid [2-(1,3-benzodioxol-5-ylamino)-2-keto-1-methyl-ethyl] ester Formula: C20H16N2O5 MolecularWeight: 364.35144

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC2=C(C=C1)OCO2)OC(=O)C3=NC4=CC=CC=C4C=C3

Isomeric SMILES

CC(C(=O)NC1=CC2=C(C=C1)OCO2)OC(=O)C3=NC4=CC=CC=C4C=C3

InChI

InChI=1S/C20H16N2O5/c1-12(19(23)21-14-7-9-17-18(10-14)26-11-25-17)27-20(24)16-8-6-13-4-2-3-5-15(13)22-16/h2-10,12H,11H2,1H3,(H,21,23)