[(5-bromanyl-1,3-dinitro-1,3-diazinan-5-yl)methyl-nitro-amino]methyl ethanoate

Systemtic Name: [(5-bromanyl-1,3-dinitro-1,3-diazinan-5-yl)methyl-nitro-amino]methyl ethanoate Openeye Name: [(5-bromo-1,3-dinitro-hexahydropyrimidin-5-yl)methyl-nitro-amino]methyl acetate CAS Name: acetic acid [(5-bromo-1,3-dinitro-1,3-diazinan-5-yl)methyl-nitroamino]methyl ester IUPAC Name: [(5-bromo-1,3-dinitro-1,3-diazinan-5-yl)methyl-nitroamino]methyl acetate Traditional Name: acetic acid [(5-bromo-1,3-dinitro-hexahydropyrimidin-5-yl)methyl-nitro-amino]methyl ester Formula: C8H13BrN6O8 MolecularWeight: 401.12822

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCN(CC1(CN(CN(C1)[N+](=O)[O-])[N+](=O)[O-])Br)[N+](=O)[O-]

Isomeric SMILES

CC(=O)OCN(CC1(CN(CN(C1)[N+](=O)[O-])[N+](=O)[O-])Br)[N+](=O)[O-]

InChI

InChI=1S/C8H13BrN6O8/c1-7(16)23-6-12(15(21)22)4-8(9)2-10(13(17)18)5-11(3-8)14(19)20/h2-6H2,1H3