2-(3-cyano-4-fluoranyl-phenyl)-4-nitro-5-(trifluoromethyl)pyrazole-3-carboxylic acid

Systemtic Name: 2-(3-cyano-4-fluoranyl-phenyl)-4-nitro-5-(trifluoromethyl)pyrazole-3-carboxylic acid Openeye Name: 2-(3-cyano-4-fluoro-phenyl)-4-nitro-5-(trifluoromethyl)pyrazole-3-carboxylic acid CAS Name: 2-(3-cyano-4-fluorophenyl)-4-nitro-5-(trifluoromethyl)-3-pyrazolecarboxylic acid IUPAC Name: 2-(3-cyano-4-fluorophenyl)-4-nitro-5-(trifluoromethyl)pyrazole-3-carboxylic acid Traditional Name: 2-(3-cyano-4-fluoro-phenyl)-4-nitro-5-(trifluoromethyl)pyrazole-3-carboxylic acid Formula: C12H4F4N4O4 MolecularWeight: 344.178173

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1N2C(=C(C(=N2)C(F)(F)F)[N+](=O)[O-])C(=O)O)C#N)F

Isomeric SMILES

C1=CC(=C(C=C1N2C(=C(C(=N2)C(F)(F)F)[N+](=O)[O-])C(=O)O)C#N)F

InChI

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