2,2-bis(fluoranyl)-3-(2-nitroimidazol-2-yl)propanoic acid

Systemtic Name: 2,2-bis(fluoranyl)-3-(2-nitroimidazol-2-yl)propanoic acid Openeye Name: 2,2-difluoro-3-(2-nitroimidazol-2-yl)propanoic acid CAS Name: 2,2-difluoro-3-(2-nitro-2-imidazolyl)propanoic acid IUPAC Name: 2,2-difluoro-3-(2-nitroimidazol-2-yl)propanoic acid Traditional Name: 2,2-difluoro-3-(2-nitroimidazol-2-yl)propionic acid Formula: C6H5F2N3O4 MolecularWeight: 221.118406

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C6H5F2N3O4/c7-5(8,4(12)13)3-6(11(14)15)9-1-2-10-6/h1-2H,3H2,(H,12,13)