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

Systemtic Name: 2-[5-ethyl-5-nitro-3-(2-oxidanidyl-2-oxidanylidene-ethyl)-1,3-diazinane-1,3-diium-1-yl]ethanoate Openeye Name: 2-[5-ethyl-5-nitro-3-(2-oxido-2-oxo-ethyl)hexahydropyrimidine-1,3-diium-1-yl]acetate CAS Name: 2-[5-ethyl-5-nitro-3-(2-oxido-2-oxoethyl)-1,3-diazinane-1,3-diium-1-yl]acetate IUPAC Name: 2-[5-ethyl-5-nitro-3-(2-oxido-2-oxoethyl)-1,3-diazinane-1,3-diium-1-yl]acetate Traditional Name: 2-[5-ethyl-3-(2-keto-2-oxido-ethyl)-5-nitro-hexahydropyrimidine-1,3-diium-1-yl]acetate Formula: C10H17N3O6 MolecularWeight: 275.25848

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(C[NH+](C[NH+](C1)CC(=O)[O-])CC(=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCC1(C[NH+](C[NH+](C1)CC(=O)[O-])CC(=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C10H17N3O6/c1-2-10(13(18)19)5-11(3-8(14)15)7-12(6-10)4-9(16)17/h2-7H2,1H3,(H,14,15)(H,16,17)