4-(hydroxymethyl)-2-oxidanylidene-3-(4-oxidanyl-4-oxidanylidene-butanoyl)-1H-quinoline-7-carboxylic acid

Systemtic Name: 4-(hydroxymethyl)-2-oxidanylidene-3-(4-oxidanyl-4-oxidanylidene-butanoyl)-1H-quinoline-7-carboxylic acid Openeye Name: 4-(hydroxymethyl)-3-(4-hydroxy-4-oxo-butanoyl)-2-oxo-1H-quinoline-7-carboxylic acid CAS Name: 3-(4-hydroxy-1,4-dioxobutyl)-4-(hydroxymethyl)-2-oxo-1H-quinoline-7-carboxylic acid IUPAC Name: 4-(hydroxymethyl)-3-(4-hydroxy-4-oxobutanoyl)-2-oxo-1H-quinoline-7-carboxylic acid Traditional Name: 3-(4-hydroxy-4-keto-butanoyl)-2-keto-4-methylol-1H-quinoline-7-carboxylic acid Formula: C15H13NO7 MolecularWeight: 319.26622

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1C(=O)O)NC(=O)C(=C2CO)C(=O)CCC(=O)O

Isomeric SMILES

C1=CC2=C(C=C1C(=O)O)NC(=O)C(=C2CO)C(=O)CCC(=O)O

InChI

InChI=1S/C15H13NO7/c17-6-9-8-2-1-7(15(22)23)5-10(8)16-14(21)13(9)11(18)3-4-12(19)20/h1-2,5,17H,3-4,6H2,(H,16,21)(H,19,20)(H,22,23)