4-(3-chloranyl-2-oxidanyl-propyl)-2-methyl-5-nitro-1,2,4-triazol-3-one

Systemtic Name: 4-(3-chloranyl-2-oxidanyl-propyl)-2-methyl-5-nitro-1,2,4-triazol-3-one Openeye Name: 4-(3-chloro-2-hydroxy-propyl)-2-methyl-5-nitro-1,2,4-triazol-3-one CAS Name: 4-(3-chloro-2-hydroxypropyl)-2-methyl-5-nitro-1,2,4-triazol-3-one IUPAC Name: 4-(3-chloro-2-hydroxypropyl)-2-methyl-5-nitro-1,2,4-triazol-3-one Traditional Name: 4-(3-chloro-2-hydroxy-propyl)-2-methyl-5-nitro-1,2,4-triazol-3-one Formula: C6H9ClN4O4 MolecularWeight: 236.61306

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C6H9ClN4O4/c1-9-6(13)10(3-4(12)2-7)5(8-9)11(14)15/h4,12H,2-3H2,1H3