4-nitro-1-[2,2,2-tris(fluoranyl)ethyl]pyrazole-3-carboxylic acid

Systemtic Name: 4-nitro-1-[2,2,2-tris(fluoranyl)ethyl]pyrazole-3-carboxylic acid Openeye Name: 4-nitro-1-(2,2,2-trifluoroethyl)pyrazole-3-carboxylic acid CAS Name: 4-nitro-1-(2,2,2-trifluoroethyl)-3-pyrazolecarboxylic acid IUPAC Name: 4-nitro-1-(2,2,2-trifluoroethyl)pyrazole-3-carboxylic acid Traditional Name: 4-nitro-1-(2,2,2-trifluoroethyl)pyrazole-3-carboxylic acid Formula: C6H4F3N3O4 MolecularWeight: 239.10887

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C6H4F3N3O4/c7-6(8,9)2-11-1-3(12(15)16)4(10-11)5(13)14/h1H,2H2,(H,13,14)