(3-nitro-1,2,4-triazol-1-yl) 2,2-bis(fluoranyl)butanoate

Systemtic Name: (3-nitro-1,2,4-triazol-1-yl) 2,2-bis(fluoranyl)butanoate Openeye Name: (3-nitro-1,2,4-triazol-1-yl) 2,2-difluorobutanoate CAS Name: 2,2-difluorobutanoic acid (3-nitro-1,2,4-triazol-1-yl) ester IUPAC Name: (3-nitro-1,2,4-triazol-1-yl) 2,2-difluorobutanoate Traditional Name: 2,2-difluorobutyric acid (3-nitro-1,2,4-triazol-1-yl) ester Formula: C6H6F2N4O4 MolecularWeight: 236.133046

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)ON1C=NC(=N1)[N+](=O)[O-])(F)F

Isomeric SMILES

CCC(C(=O)ON1C=NC(=N1)[N+](=O)[O-])(F)F

InChI

InChI=1S/C6H6F2N4O4/c1-2-6(7,8)4(13)16-11-3-9-5(10-11)12(14)15/h3H,2H2,1H3