3,3-dimethyl-1-(3-nitro-1,2,4-triazol-1-yl)butan-2-one

Systemtic Name: 3,3-dimethyl-1-(3-nitro-1,2,4-triazol-1-yl)butan-2-one Openeye Name: 3,3-dimethyl-1-(3-nitro-1,2,4-triazol-1-yl)butan-2-one CAS Name: 3,3-dimethyl-1-(3-nitro-1,2,4-triazol-1-yl)-2-butanone IUPAC Name: 3,3-dimethyl-1-(3-nitro-1,2,4-triazol-1-yl)butan-2-one Traditional Name: 3,3-dimethyl-1-(3-nitro-1,2,4-triazol-1-yl)butan-2-one Formula: C8H12N4O3 MolecularWeight: 212.20588

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H12N4O3/c1-8(2,3)6(13)4-11-5-9-7(10-11)12(14)15/h5H,4H2,1-3H3