4-[(1-oxidanidyl-4-oxidanylidene-quinoxalin-4-ium-2-yl)methoxy]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[(1-oxidanidyl-4-oxidanylidene-quinoxalin-4-ium-2-yl)methoxy]-4-oxidanylidene-butanoic acid Openeye Name: 4-[(1-oxido-4-oxo-quinoxalin-4-ium-2-yl)methoxy]-4-oxo-butanoic acid CAS Name: 4-[(1-oxido-4-oxo-2-quinoxalin-4-iumyl)methoxy]-4-oxobutanoic acid IUPAC Name: 4-[(1-oxido-4-oxoquinoxalin-4-ium-2-yl)methoxy]-4-oxobutanoic acid Traditional Name: 4-keto-4-[(4-keto-1-oxido-quinoxalin-4-ium-2-yl)methoxy]butyric acid Formula: C13H12N2O6 MolecularWeight: 292.24418

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N(C(=C[N+]2=O)COC(=O)CCC(=O)O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N(C(=C[N+]2=O)COC(=O)CCC(=O)O)[O-]

InChI

InChI=1S/C13H12N2O6/c16-12(17)5-6-13(18)21-8-9-7-14(19)10-3-1-2-4-11(10)15(9)20/h1-4,7H,5-6,8H2,(H,16,17)