[1-(5-bromanyl-3-nitro-1,2,4-triazol-1-yl)-3-methoxy-propan-2-yl] nitrate

Systemtic Name: [1-(5-bromanyl-3-nitro-1,2,4-triazol-1-yl)-3-methoxy-propan-2-yl] nitrate Openeye Name: [1-[(5-bromo-3-nitro-1,2,4-triazol-1-yl)methyl]-2-methoxy-ethyl] nitrate CAS Name: nitric acid [1-(5-bromo-3-nitro-1,2,4-triazol-1-yl)-3-methoxypropan-2-yl] ester IUPAC Name: [1-(5-bromo-3-nitro-1,2,4-triazol-1-yl)-3-methoxypropan-2-yl] nitrate Traditional Name: nitric acid [1-[(5-bromo-3-nitro-1,2,4-triazol-1-yl)methyl]-2-methoxy-ethyl] ester Formula: C6H8BrN5O6 MolecularWeight: 326.06162

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Descriptors Computed from Structure

Canonical SMILES:

COCC(CN1C(=NC(=N1)[N+](=O)[O-])Br)O[N+](=O)[O-]

Isomeric SMILES

COCC(CN1C(=NC(=N1)[N+](=O)[O-])Br)O[N+](=O)[O-]

InChI

InChI=1S/C6H8BrN5O6/c1-17-3-4(18-12(15)16)2-10-5(7)8-6(9-10)11(13)14/h4H,2-3H2,1H3