4-(hydroxymethyl)-2-oxidanylidene-3-(4-oxidanyl-4-oxidanylidene-butanoyl)-1H-1,7-naphthyridine-6-carboxylic acid

Systemtic Name: 4-(hydroxymethyl)-2-oxidanylidene-3-(4-oxidanyl-4-oxidanylidene-butanoyl)-1H-1,7-naphthyridine-6-carboxylic acid Openeye Name: 4-(hydroxymethyl)-3-(4-hydroxy-4-oxo-butanoyl)-2-oxo-1H-1,7-naphthyridine-6-carboxylic acid CAS Name: 3-(4-hydroxy-1,4-dioxobutyl)-4-(hydroxymethyl)-2-oxo-1H-1,7-naphthyridine-6-carboxylic acid IUPAC Name: 4-(hydroxymethyl)-3-(4-hydroxy-4-oxobutanoyl)-2-oxo-1H-1,7-naphthyridine-6-carboxylic acid Traditional Name: 3-(4-hydroxy-4-keto-butanoyl)-2-keto-4-methylol-1H-1,7-naphthyridine-6-carboxylic acid Formula: C14H12N2O7 MolecularWeight: 320.25428

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Descriptors Computed from Structure

Canonical SMILES:

C1=C2C(=CN=C1C(=O)O)NC(=O)C(=C2CO)C(=O)CCC(=O)O

Isomeric SMILES

C1=C2C(=CN=C1C(=O)O)NC(=O)C(=C2CO)C(=O)CCC(=O)O

InChI

InChI=1S/C14H12N2O7/c17-5-7-6-3-8(14(22)23)15-4-9(6)16-13(21)12(7)10(18)1-2-11(19)20/h3-4,17H,1-2,5H2,(H,16,21)(H,19,20)(H,22,23)