[2-[(6-ethanoyl-1,3-benzodioxol-5-yl)amino]-2-oxidanylidene-ethyl] 2-(furan-2-yl)quinoline-4-carboxylate

Systemtic Name: [2-[(6-ethanoyl-1,3-benzodioxol-5-yl)amino]-2-oxidanylidene-ethyl] 2-(furan-2-yl)quinoline-4-carboxylate Openeye Name: [2-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-oxo-ethyl] 2-(2-furyl)quinoline-4-carboxylate CAS Name: 2-(2-furanyl)-4-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] 2-(furan-2-yl)quinoline-4-carboxylate Traditional Name: 2-(2-furyl)cinchoninic acid [2-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-keto-ethyl] ester Formula: C25H18N2O7 MolecularWeight: 458.41962

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC2=C(C=C1NC(=O)COC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CO5)OCO2

Isomeric SMILES

CC(=O)C1=CC2=C(C=C1NC(=O)COC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CO5)OCO2

InChI

InChI=1S/C25H18N2O7/c1-14(28)16-10-22-23(34-13-33-22)11-19(16)27-24(29)12-32-25(30)17-9-20(21-7-4-8-31-21)26-18-6-3-2-5-15(17)18/h2-11H,12-13H2,1H3,(H,27,29)