[2-[bis(azanyl)methylideneamino]-1,3-dinitro-propyl] ethanoate

Systemtic Name: [2-[bis(azanyl)methylideneamino]-1,3-dinitro-propyl] ethanoate Openeye Name: (2-guanidino-1,3-dinitro-propyl) acetate CAS Name: acetic acid [2-(diaminomethylideneamino)-1,3-dinitropropyl] ester IUPAC Name: [2-(diaminomethylideneamino)-1,3-dinitropropyl] acetate Traditional Name: acetic acid (2-guanidino-1,3-dinitro-propyl) ester Formula: C6H11N5O6 MolecularWeight: 249.18144

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC(C(C[N+](=O)[O-])N=C(N)N)[N+](=O)[O-]

Isomeric SMILES

CC(=O)OC(C(C[N+](=O)[O-])N=C(N)N)[N+](=O)[O-]

InChI

InChI=1S/C6H11N5O6/c1-3(12)17-5(11(15)16)4(2-10(13)14)9-6(7)8/h4-5H,2H2,1H3,(H4,7,8,9)