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

Systemtic Name: 5-methyl-4-nitro-1-[2,2,2-tris(fluoranyl)ethyl]pyrazole-3-carboxylic acid Openeye Name: 5-methyl-4-nitro-1-(2,2,2-trifluoroethyl)pyrazole-3-carboxylic acid CAS Name: 5-methyl-4-nitro-1-(2,2,2-trifluoroethyl)-3-pyrazolecarboxylic acid IUPAC Name: 5-methyl-4-nitro-1-(2,2,2-trifluoroethyl)pyrazole-3-carboxylic acid Traditional Name: 5-methyl-4-nitro-1-(2,2,2-trifluoroethyl)pyrazole-3-carboxylic acid Formula: C7H6F3N3O4 MolecularWeight: 253.13545

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC(F)(F)F)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC(F)(F)F)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C7H6F3N3O4/c1-3-5(13(16)17)4(6(14)15)11-12(3)2-7(8,9)10/h2H2,1H3,(H,14,15)