[4-[(4-acetyloxy-2,2-dinitro-butyl)-nitro-amino]-3,3-dinitro-butyl] ethanoate

Systemtic Name: [4-[(4-acetyloxy-2,2-dinitro-butyl)-nitro-amino]-3,3-dinitro-butyl] ethanoate Openeye Name: [4-[(4-acetoxy-2,2-dinitro-butyl)-nitro-amino]-3,3-dinitro-butyl] acetate CAS Name: acetic acid [4-[(4-acetyloxy-2,2-dinitrobutyl)-nitroamino]-3,3-dinitrobutyl] ester IUPAC Name: [4-[(4-acetyloxy-2,2-dinitrobutyl)-nitroamino]-3,3-dinitrobutyl] acetate Traditional Name: acetic acid [4-[(4-acetoxy-2,2-dinitro-butyl)-nitro-amino]-3,3-dinitro-butyl] ester Formula: C12H18N6O14 MolecularWeight: 470.30312

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCCC(CN(CC(CCOC(=O)C)([N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC(=O)OCCC(CN(CC(CCOC(=O)C)([N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C12H18N6O14/c1-9(19)31-5-3-11(14(21)22,15(23)24)7-13(18(29)30)8-12(16(25)26,17(27)28)4-6-32-10(2)20/h3-8H2,1-2H3