4-(chloromethyl)-1-(2,2-dinitropropyl)-1,2,3-triazole

Systemtic Name: 4-(chloromethyl)-1-(2,2-dinitropropyl)-1,2,3-triazole Openeye Name: 4-(chloromethyl)-1-(2,2-dinitropropyl)triazole CAS Name: 4-(chloromethyl)-1-(2,2-dinitropropyl)triazole IUPAC Name: 4-(chloromethyl)-1-(2,2-dinitropropyl)triazole Traditional Name: 4-(chloromethyl)-1-(2,2-dinitropropyl)triazole Formula: C6H8ClN5O4 MolecularWeight: 249.61182

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C6H8ClN5O4/c1-6(11(13)14,12(15)16)4-10-3-5(2-7)8-9-10/h3H,2,4H2,1H3