[2-[(6-ethanoyl-1,3-benzodioxol-5-yl)amino]-2-oxidanylidene-ethyl] quinoline-2-carboxylate

Systemtic Name: [2-[(6-ethanoyl-1,3-benzodioxol-5-yl)amino]-2-oxidanylidene-ethyl] quinoline-2-carboxylate Openeye Name: [2-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-oxo-ethyl] quinoline-2-carboxylate CAS Name: 2-quinolinecarboxylic acid [2-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-oxoethyl] quinoline-2-carboxylate Traditional Name: quinaldic acid [2-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-keto-ethyl] ester Formula: C21H16N2O6 MolecularWeight: 392.36154

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC2=C(C=C1NC(=O)COC(=O)C3=NC4=CC=CC=C4C=C3)OCO2

Isomeric SMILES

CC(=O)C1=CC2=C(C=C1NC(=O)COC(=O)C3=NC4=CC=CC=C4C=C3)OCO2

InChI

InChI=1S/C21H16N2O6/c1-12(24)14-8-18-19(29-11-28-18)9-17(14)23-20(25)10-27-21(26)16-7-6-13-4-2-3-5-15(13)22-16/h2-9H,10-11H2,1H3,(H,23,25)