4-[1-methyl-2-oxidanyl-4-oxidanylidene-3-(4-oxidanyl-4-oxidanylidene-butanoyl)quinolin-7-yl]benzoic acid

Systemtic Name: 4-[1-methyl-2-oxidanyl-4-oxidanylidene-3-(4-oxidanyl-4-oxidanylidene-butanoyl)quinolin-7-yl]benzoic acid Openeye Name: 4-[2-hydroxy-3-(4-hydroxy-4-oxo-butanoyl)-1-methyl-4-oxo-7-quinolyl]benzoic acid CAS Name: 4-[2-hydroxy-3-(4-hydroxy-1,4-dioxobutyl)-1-methyl-4-oxo-7-quinolinyl]benzoic acid IUPAC Name: 4-[2-hydroxy-3-(4-hydroxy-4-oxobutanoyl)-1-methyl-4-oxoquinolin-7-yl]benzoic acid Traditional Name: 4-[2-hydroxy-3-(4-hydroxy-4-keto-butanoyl)-4-keto-1-methyl-7-quinolyl]benzoic acid Formula: C21H17NO7 MolecularWeight: 395.36218

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=CC(=C2)C3=CC=C(C=C3)C(=O)O)C(=O)C(=C1O)C(=O)CCC(=O)O

Isomeric SMILES

CN1C2=C(C=CC(=C2)C3=CC=C(C=C3)C(=O)O)C(=O)C(=C1O)C(=O)CCC(=O)O

InChI

InChI=1S/C21H17NO7/c1-22-15-10-13(11-2-4-12(5-3-11)21(28)29)6-7-14(15)19(26)18(20(22)27)16(23)8-9-17(24)25/h2-7,10,27H,8-9H2,1H3,(H,24,25)(H,28,29)