4-methyl-5-nitro-2-(3-oxidanylidenebutyl)-1,2,4-triazol-3-one

Systemtic Name: 4-methyl-5-nitro-2-(3-oxidanylidenebutyl)-1,2,4-triazol-3-one Openeye Name: 4-methyl-5-nitro-2-(3-oxobutyl)-1,2,4-triazol-3-one CAS Name: 4-methyl-5-nitro-2-(3-oxobutyl)-1,2,4-triazol-3-one IUPAC Name: 4-methyl-5-nitro-2-(3-oxobutyl)-1,2,4-triazol-3-one Traditional Name: 2-(3-ketobutyl)-4-methyl-5-nitro-1,2,4-triazol-3-one Formula: C7H10N4O4 MolecularWeight: 214.1787

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCN1C(=O)N(C(=N1)[N+](=O)[O-])C

Isomeric SMILES

CC(=O)CCN1C(=O)N(C(=N1)[N+](=O)[O-])C

InChI

InChI=1S/C7H10N4O4/c1-5(12)3-4-10-7(13)9(2)6(8-10)11(14)15/h3-4H2,1-2H3