[3-acetyloxy-5-(4-oxidanidyl-2-oxidanylidene-pyrazin-4-ium-1-yl)oxolan-2-yl]methyl ethanoate

Systemtic Name: [3-acetyloxy-5-(4-oxidanidyl-2-oxidanylidene-pyrazin-4-ium-1-yl)oxolan-2-yl]methyl ethanoate Openeye Name: [3-acetoxy-5-(4-oxido-2-oxo-pyrazin-4-ium-1-yl)tetrahydrofuran-2-yl]methyl acetate CAS Name: acetic acid [3-acetyloxy-5-(4-oxido-2-oxo-1-pyrazin-4-iumyl)-2-oxolanyl]methyl ester IUPAC Name: [3-acetyloxy-5-(4-oxido-2-oxopyrazin-4-ium-1-yl)oxolan-2-yl]methyl acetate Traditional Name: acetic acid [3-acetoxy-5-(2-keto-4-oxido-pyrazin-4-ium-1-yl)tetrahydrofuran-2-yl]methyl ester Formula: C13H16N2O7 MolecularWeight: 312.27534

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1C(CC(O1)N2C=C[N+](=CC2=O)[O-])OC(=O)C

Isomeric SMILES

CC(=O)OCC1C(CC(O1)N2C=C[N+](=CC2=O)[O-])OC(=O)C

InChI

InChI=1S/C13H16N2O7/c1-8(16)20-7-11-10(21-9(2)17)5-13(22-11)15-4-3-14(19)6-12(15)18/h3-4,6,10-11,13H,5,7H2,1-2H3