3-[5-methyl-5-nitro-3-(3-oxidanidyl-3-oxidanylidene-propyl)-1,3-diazinane-1,3-diium-1-yl]propanoate

Systemtic Name: 3-[5-methyl-5-nitro-3-(3-oxidanidyl-3-oxidanylidene-propyl)-1,3-diazinane-1,3-diium-1-yl]propanoate Openeye Name: 3-[5-methyl-5-nitro-3-(3-oxido-3-oxo-propyl)hexahydropyrimidine-1,3-diium-1-yl]propanoate CAS Name: 3-[5-methyl-5-nitro-3-(3-oxido-3-oxopropyl)-1,3-diazinane-1,3-diium-1-yl]propanoate IUPAC Name: 3-[5-methyl-5-nitro-3-(3-oxido-3-oxopropyl)-1,3-diazinane-1,3-diium-1-yl]propanoate Traditional Name: 3-[3-(3-keto-3-oxido-propyl)-5-methyl-5-nitro-hexahydropyrimidine-1,3-diium-1-yl]propionate Formula: C11H19N3O6 MolecularWeight: 289.28506

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H19N3O6/c1-11(14(19)20)6-12(4-2-9(15)16)8-13(7-11)5-3-10(17)18/h2-8H2,1H3,(H,15,16)(H,17,18)