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

Systemtic Name: 2,2-bis(fluoranyl)-3-(3-nitro-1,2,4-triazol-1-yl)propanoic acid Openeye Name: 2,2-difluoro-3-(3-nitro-1,2,4-triazol-1-yl)propanoic acid CAS Name: 2,2-difluoro-3-(3-nitro-1,2,4-triazol-1-yl)propanoic acid IUPAC Name: 2,2-difluoro-3-(3-nitro-1,2,4-triazol-1-yl)propanoic acid Traditional Name: 2,2-difluoro-3-(3-nitro-1,2,4-triazol-1-yl)propionic acid Formula: C5H4F2N4O4 MolecularWeight: 222.106466

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC(=NN1CC(C(=O)O)(F)F)[N+](=O)[O-]

Isomeric SMILES

C1=NC(=NN1CC(C(=O)O)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C5H4F2N4O4/c6-5(7,3(12)13)1-10-2-8-4(9-10)11(14)15/h2H,1H2,(H,12,13)