[2-acetyloxy-4,6-diazido-3-[(5-bromanyl-3-nitro-1,2,4-triazol-1-yl)methoxy]cyclohexyl] ethanoate

Systemtic Name: [2-acetyloxy-4,6-diazido-3-[(5-bromanyl-3-nitro-1,2,4-triazol-1-yl)methoxy]cyclohexyl] ethanoate Openeye Name: [2-acetoxy-4,6-diazido-3-[(5-bromo-3-nitro-1,2,4-triazol-1-yl)methoxy]cyclohexyl] acetate CAS Name: acetic acid [2-acetyloxy-4,6-diazido-3-[(5-bromo-3-nitro-1,2,4-triazol-1-yl)methoxy]cyclohexyl] ester IUPAC Name: [2-acetyloxy-4,6-diazido-3-[(5-bromo-3-nitro-1,2,4-triazol-1-yl)methoxy]cyclohexyl] acetate Traditional Name: acetic acid [2-acetoxy-4,6-diazido-3-[(5-bromo-3-nitro-1,2,4-triazol-1-yl)methoxy]cyclohexyl] ester Formula: C13H15BrN10O7 MolecularWeight: 503.225

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1C(CC(C(C1OC(=O)C)OCN2C(=NC(=N2)[N+](=O)[O-])Br)N=[N+]=[N-])N=[N+]=[N-]

Isomeric SMILES

CC(=O)OC1C(CC(C(C1OC(=O)C)OCN2C(=NC(=N2)[N+](=O)[O-])Br)N=[N+]=[N-])N=[N+]=[N-]

InChI

InChI=1S/C13H15BrN10O7/c1-5(25)30-10-8(19-22-16)3-7(18-21-15)9(11(10)31-6(2)26)29-4-23-12(14)17-13(20-23)24(27)28/h7-11H,3-4H2,1-2H3