[(2S,3S)-3-acetyloxy-1,4-dinitro-piperazin-2-yl] ethanoate

Systemtic Name: [(2S,3S)-3-acetyloxy-1,4-dinitro-piperazin-2-yl] ethanoate Openeye Name: [(2S,3S)-3-acetoxy-1,4-dinitro-piperazin-2-yl] acetate CAS Name: acetic acid [(2S,3S)-3-acetyloxy-1,4-dinitro-2-piperazinyl] ester IUPAC Name: [(2S,3S)-3-acetyloxy-1,4-dinitropiperazin-2-yl] acetate Traditional Name: acetic acid [(2S,3S)-3-acetoxy-1,4-dinitro-piperazin-2-yl] ester Formula: C8H12N4O8 MolecularWeight: 292.20288

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1C(N(CCN1[N+](=O)[O-])[N+](=O)[O-])OC(=O)C

Isomeric SMILES

CC(=O)O[C@H]1[C@@H](N(CCN1[N+](=O)[O-])[N+](=O)[O-])OC(=O)C

InChI

InChI=1S/C8H12N4O8/c1-5(13)19-7-8(20-6(2)14)10(12(17)18)4-3-9(7)11(15)16/h7-8H,3-4H2,1-2H3/t7-,8-/m0/s1