(7-acetyloxy-2,2-dimethyl-3-oxidanidyl-1-oxidanylidene-4,5,6,7-tetrahydrobenzimidazol-1-ium-4-yl) ethanoate

Systemtic Name: (7-acetyloxy-2,2-dimethyl-3-oxidanidyl-1-oxidanylidene-4,5,6,7-tetrahydrobenzimidazol-1-ium-4-yl) ethanoate Openeye Name: (7-acetoxy-2,2-dimethyl-3-oxido-1-oxo-4,5,6,7-tetrahydrobenzimidazol-1-ium-4-yl) acetate CAS Name: acetic acid (7-acetyloxy-2,2-dimethyl-3-oxido-1-oxo-4,5,6,7-tetrahydrobenzimidazol-1-ium-4-yl) ester IUPAC Name: (7-acetyloxy-2,2-dimethyl-3-oxido-1-oxo-4,5,6,7-tetrahydrobenzimidazol-1-ium-4-yl) acetate Traditional Name: acetic acid (7-acetoxy-1-keto-2,2-dimethyl-3-oxido-4,5,6,7-tetrahydrobenzimidazol-1-ium-4-yl) ester Formula: C13H18N2O6 MolecularWeight: 298.29182

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1CCC(C2=C1N(C([N+]2=O)(C)C)[O-])OC(=O)C

Isomeric SMILES

CC(=O)OC1CCC(C2=C1N(C([N+]2=O)(C)C)[O-])OC(=O)C

InChI

InChI=1S/C13H18N2O6/c1-7(16)20-9-5-6-10(21-8(2)17)12-11(9)14(18)13(3,4)15(12)19/h9-10H,5-6H2,1-4H3