(4-fluorophenyl) 5-cyano-4-nitro-5-(trifluoromethyl)pyrazole-3-carboxylate

Systemtic Name: (4-fluorophenyl) 5-cyano-4-nitro-5-(trifluoromethyl)pyrazole-3-carboxylate Openeye Name: (4-fluorophenyl) 5-cyano-4-nitro-5-(trifluoromethyl)pyrazole-3-carboxylate CAS Name: 5-cyano-4-nitro-5-(trifluoromethyl)-3-pyrazolecarboxylic acid (4-fluorophenyl) ester IUPAC Name: (4-fluorophenyl) 5-cyano-4-nitro-5-(trifluoromethyl)pyrazole-3-carboxylate Traditional Name: 5-cyano-4-nitro-5-(trifluoromethyl)pyrazole-3-carboxylic acid (4-fluorophenyl) ester Formula: C12H4F4N4O4 MolecularWeight: 344.178173

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1OC(=O)C2=C(C(N=N2)(C#N)C(F)(F)F)[N+](=O)[O-])F

Isomeric SMILES

C1=CC(=CC=C1OC(=O)C2=C(C(N=N2)(C#N)C(F)(F)F)[N+](=O)[O-])F

InChI

InChI=1S/C12H4F4N4O4/c13-6-1-3-7(4-2-6)24-10(21)8-9(20(22)23)11(5-17,19-18-8)12(14,15)16/h1-4H