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

Systemtic Name: [4-[(4-acetyloxy-2,2-dinitro-butyl)-nitroso-amino]-3,3-dinitro-butyl] ethanoate Openeye Name: [4-[(4-acetoxy-2,2-dinitro-butyl)-nitroso-amino]-3,3-dinitro-butyl] acetate CAS Name: acetic acid [4-[(4-acetyloxy-2,2-dinitrobutyl)-nitrosoamino]-3,3-dinitrobutyl] ester IUPAC Name: [4-[(4-acetyloxy-2,2-dinitrobutyl)-nitrosoamino]-3,3-dinitrobutyl] acetate Traditional Name: acetic acid [4-[(4-acetoxy-2,2-dinitro-butyl)-nitroso-amino]-3,3-dinitro-butyl] ester Formula: C12H18N6O13 MolecularWeight: 454.30372

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C12H18N6O13/c1-9(19)30-5-3-11(15(22)23,16(24)25)7-14(13-21)8-12(17(26)27,18(28)29)4-6-31-10(2)20/h3-8H2,1-2H3