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

Systemtic Name: 2-methyl-5-nitro-4-(3-oxidanylidenebutyl)-1,2,4-triazol-3-one Openeye Name: 2-methyl-5-nitro-4-(3-oxobutyl)-1,2,4-triazol-3-one CAS Name: 2-methyl-5-nitro-4-(3-oxobutyl)-1,2,4-triazol-3-one IUPAC Name: 2-methyl-5-nitro-4-(3-oxobutyl)-1,2,4-triazol-3-one Traditional Name: 4-(3-ketobutyl)-2-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(=NN(C1=O)C)[N+](=O)[O-]

Isomeric SMILES

CC(=O)CCN1C(=NN(C1=O)C)[N+](=O)[O-]

InChI

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