(4-acetyloxy-2,2-dimethyl-1-oxidanidyl-3-oxidanylidene-5,6,7,8-tetrahydro-4H-cyclohepta[d]imidazol-3-ium-8-yl) ethanoate

Systemtic Name: (4-acetyloxy-2,2-dimethyl-1-oxidanidyl-3-oxidanylidene-5,6,7,8-tetrahydro-4H-cyclohepta[d]imidazol-3-ium-8-yl) ethanoate Openeye Name: (4-acetoxy-2,2-dimethyl-1-oxido-3-oxo-5,6,7,8-tetrahydro-4H-cyclohepta[d]imidazol-3-ium-8-yl) acetate CAS Name: acetic acid (4-acetyloxy-2,2-dimethyl-1-oxido-3-oxo-5,6,7,8-tetrahydro-4H-cyclohepta[d]imidazol-3-ium-8-yl) ester IUPAC Name: (4-acetyloxy-2,2-dimethyl-1-oxido-3-oxo-5,6,7,8-tetrahydro-4H-cyclohepta[d]imidazol-3-ium-8-yl) acetate Traditional Name: acetic acid (4-acetoxy-3-keto-2,2-dimethyl-1-oxido-5,6,7,8-tetrahydro-4H-cyclohept[d]imidazol-3-ium-8-yl) ester Formula: C14H20N2O6 MolecularWeight: 312.3184

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1CCCC(C2=C1N(C([N+]2=O)(C)C)[O-])OC(=O)C

Isomeric SMILES

CC(=O)OC1CCCC(C2=C1N(C([N+]2=O)(C)C)[O-])OC(=O)C

InChI

InChI=1S/C14H20N2O6/c1-8(17)21-10-6-5-7-11(22-9(2)18)13-12(10)15(19)14(3,4)16(13)20/h10-11H,5-7H2,1-4H3