[1-chloranyl-3-(1-methyl-3-nitro-5-oxidanylidene-1,2,4-triazol-4-yl)propan-2-yl] nitrate

Systemtic Name: [1-chloranyl-3-(1-methyl-3-nitro-5-oxidanylidene-1,2,4-triazol-4-yl)propan-2-yl] nitrate Openeye Name: [1-(chloromethyl)-2-(1-methyl-3-nitro-5-oxo-1,2,4-triazol-4-yl)ethyl] nitrate CAS Name: nitric acid [1-chloro-3-(1-methyl-3-nitro-5-oxo-1,2,4-triazol-4-yl)propan-2-yl] ester IUPAC Name: [1-chloro-3-(1-methyl-3-nitro-5-oxo-1,2,4-triazol-4-yl)propan-2-yl] nitrate Traditional Name: nitric acid [1-(chloromethyl)-2-(5-keto-1-methyl-3-nitro-1,2,4-triazol-4-yl)ethyl] ester Formula: C6H8ClN5O6 MolecularWeight: 281.61062

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)N(C(=N1)[N+](=O)[O-])CC(CCl)O[N+](=O)[O-]

Isomeric SMILES

CN1C(=O)N(C(=N1)[N+](=O)[O-])CC(CCl)O[N+](=O)[O-]

InChI

InChI=1S/C6H8ClN5O6/c1-9-6(13)10(5(8-9)11(14)15)3-4(2-7)18-12(16)17/h4H,2-3H2,1H3