[2-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]carbonylamino]-2-oxidanylidene-ethyl] quinoline-2-carboxylate

Systemtic Name: [2-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]carbonylamino]-2-oxidanylidene-ethyl] quinoline-2-carboxylate Openeye Name: [2-[[(3R)-2,3-dihydro-1,4-benzodioxine-3-carbonyl]amino]-2-oxo-ethyl] quinoline-2-carboxylate CAS Name: 2-quinolinecarboxylic acid [2-[[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(3R)-2,3-dihydro-1,4-benzodioxine-3-carbonyl]amino]-2-oxoethyl] quinoline-2-carboxylate Traditional Name: quinaldic acid [2-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-carbonyl]amino]-2-keto-ethyl] ester Formula: C21H16N2O6 MolecularWeight: 392.36154

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC2=CC=CC=C2O1)C(=O)NC(=O)COC(=O)C3=NC4=CC=CC=C4C=C3

Isomeric SMILES

C1[C@@H](OC2=CC=CC=C2O1)C(=O)NC(=O)COC(=O)C3=NC4=CC=CC=C4C=C3

InChI

InChI=1S/C21H16N2O6/c24-19(23-20(25)18-11-27-16-7-3-4-8-17(16)29-18)12-28-21(26)15-10-9-13-5-1-2-6-14(13)22-15/h1-10,18H,11-12H2,(H,23,24,25)/t18-/m1/s1