1-(3-methylbutyl)-3-nitro-1,2,4-triazole

Systemtic Name: 1-(3-methylbutyl)-3-nitro-1,2,4-triazole Openeye Name: 1-isopentyl-3-nitro-1,2,4-triazole CAS Name: 1-(3-methylbutyl)-3-nitro-1,2,4-triazole IUPAC Name: 1-(3-methylbutyl)-3-nitro-1,2,4-triazole Traditional Name: 1-isoamyl-3-nitro-1,2,4-triazole Formula: C7H12N4O2 MolecularWeight: 184.19578

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H12N4O2/c1-6(2)3-4-10-5-8-7(9-10)11(12)13/h5-6H,3-4H2,1-2H3