2-[5-methyl-5-nitro-3-(2-oxidanidyl-2-oxidanylidene-ethyl)-1,3-diazinane-1,3-diium-1-yl]ethanoate

Systemtic Name: 2-[5-methyl-5-nitro-3-(2-oxidanidyl-2-oxidanylidene-ethyl)-1,3-diazinane-1,3-diium-1-yl]ethanoate Openeye Name: 2-[5-methyl-5-nitro-3-(2-oxido-2-oxo-ethyl)hexahydropyrimidine-1,3-diium-1-yl]acetate CAS Name: 2-[5-methyl-5-nitro-3-(2-oxido-2-oxoethyl)-1,3-diazinane-1,3-diium-1-yl]acetate IUPAC Name: 2-[5-methyl-5-nitro-3-(2-oxido-2-oxoethyl)-1,3-diazinane-1,3-diium-1-yl]acetate Traditional Name: 2-[3-(2-keto-2-oxido-ethyl)-5-methyl-5-nitro-hexahydropyrimidine-1,3-diium-1-yl]acetate Formula: C9H15N3O6 MolecularWeight: 261.2319

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C[NH+](C[NH+](C1)CC(=O)[O-])CC(=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1(C[NH+](C[NH+](C1)CC(=O)[O-])CC(=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C9H15N3O6/c1-9(12(17)18)4-10(2-7(13)14)6-11(5-9)3-8(15)16/h2-6H2,1H3,(H,13,14)(H,15,16)