4-oxidanylidene-4-[[1,3,4-tris(oxidanylidene)isoquinolin-6-yl]amino]butanoic acid

Systemtic Name: 4-oxidanylidene-4-[[1,3,4-tris(oxidanylidene)isoquinolin-6-yl]amino]butanoic acid Openeye Name: 4-oxo-4-[(1,3,4-trioxo-6-isoquinolyl)amino]butanoic acid CAS Name: 4-oxo-4-[(1,3,4-trioxo-6-isoquinolinyl)amino]butanoic acid IUPAC Name: 4-oxo-4-[(1,3,4-trioxoisoquinolin-6-yl)amino]butanoic acid Traditional Name: 4-keto-4-[(1,3,4-triketo-6-isoquinolyl)amino]butyric acid Formula: C13H10N2O6 MolecularWeight: 290.2283

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1NC(=O)CCC(=O)O)C(=O)C(=O)NC2=O

Isomeric SMILES

C1=CC2=C(C=C1NC(=O)CCC(=O)O)C(=O)C(=O)NC2=O

InChI

InChI=1S/C13H10N2O6/c16-9(3-4-10(17)18)14-6-1-2-7-8(5-6)11(19)13(21)15-12(7)20/h1-2,5H,3-4H2,(H,14,16)(H,17,18)(H,15,20,21)