[5-(5-cyano-6-oxidanylidene-1H-pyridazin-2-ium-2-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl ethanoate

Systemtic Name: [5-(5-cyano-6-oxidanylidene-1H-pyridazin-2-ium-2-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl ethanoate Openeye Name: [5-(5-cyano-6-oxo-1H-pyridazin-2-ium-2-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl acetate CAS Name: acetic acid [5-(5-cyano-6-oxo-1H-pyridazin-2-ium-2-yl)-3,4-dihydroxy-2-oxolanyl]methyl ester IUPAC Name: [5-(5-cyano-6-oxo-1H-pyridazin-2-ium-2-yl)-3,4-dihydroxyoxolan-2-yl]methyl acetate Traditional Name: acetic acid [5-(5-cyano-6-keto-1H-pyridazin-2-ium-2-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl ester Formula: C12H14N3O6+ MolecularWeight: 296.25606

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1C(C(C(O1)[N+]2=CC=C(C(=O)N2)C#N)O)O

Isomeric SMILES

CC(=O)OCC1C(C(C(O1)[N+]2=CC=C(C(=O)N2)C#N)O)O

InChI

InChI=1S/C12H13N3O6/c1-6(16)20-5-8-9(17)10(18)12(21-8)15-3-2-7(4-13)11(19)14-15/h2-3,8-10,12,17-18H,5H2,1H3/p+1