ethyl 6-[1,3-bis(oxidanyl)propan-2-yloxymethyl]-4-oxidanylidene-1H-quinoline-3-carboxylate

Systemtic Name: ethyl 6-[1,3-bis(oxidanyl)propan-2-yloxymethyl]-4-oxidanylidene-1H-quinoline-3-carboxylate Openeye Name: ethyl 6-[[2-hydroxy-1-(hydroxymethyl)ethoxy]methyl]-4-oxo-1H-quinoline-3-carboxylate CAS Name: 6-(1,3-dihydroxypropan-2-yloxymethyl)-4-oxo-1H-quinoline-3-carboxylic acid ethyl ester IUPAC Name: ethyl 6-(1,3-dihydroxypropan-2-yloxymethyl)-4-oxo-1H-quinoline-3-carboxylate Traditional Name: 6-[(2-hydroxy-1-methylol-ethoxy)methyl]-4-keto-1H-quinoline-3-carboxylic acid ethyl ester Formula: C16H19NO6 MolecularWeight: 321.32516

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CNC2=C(C1=O)C=C(C=C2)COC(CO)CO

Isomeric SMILES

CCOC(=O)C1=CNC2=C(C1=O)C=C(C=C2)COC(CO)CO

InChI

InChI=1S/C16H19NO6/c1-2-22-16(21)13-6-17-14-4-3-10(5-12(14)15(13)20)9-23-11(7-18)8-19/h3-6,11,18-19H,2,7-9H2,1H3,(H,17,20)