(3,5,5-trimethyl-2-oxidanidyl-4H-pyrazol-2-ium-3-yl) ethanoate

Systemtic Name: (3,5,5-trimethyl-2-oxidanidyl-4H-pyrazol-2-ium-3-yl) ethanoate Openeye Name: (3,5,5-trimethyl-2-oxido-4H-pyrazol-2-ium-3-yl) acetate CAS Name: acetic acid (3,5,5-trimethyl-2-oxido-4H-pyrazol-2-ium-3-yl) ester IUPAC Name: (3,5,5-trimethyl-2-oxido-4H-pyrazol-2-ium-3-yl) acetate Traditional Name: acetic acid (3,5,5-trimethyl-2-oxido-1-pyrazolin-2-ium-3-yl) ester Formula: C8H14N2O3 MolecularWeight: 186.20836

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1(CC(N=[N+]1[O-])(C)C)C

Isomeric SMILES

CC(=O)OC1(CC(N=[N+]1[O-])(C)C)C

InChI

InChI=1S/C8H14N2O3/c1-6(11)13-8(4)5-7(2,3)9-10(8)12/h5H2,1-4H3