3-nitro-4-(trifluoromethyl)benzoic acid

Systemtic Name: 3-nitro-4-(trifluoromethyl)benzoic acid Openeye Name: 3-nitro-4-(trifluoromethyl)benzoic acid CAS Name: 3-nitro-4-(trifluoromethyl)benzoic acid IUPAC Name: 3-nitro-4-(trifluoromethyl)benzoic acid Traditional Name: 3-nitro-4-(trifluoromethyl)benzoic acid Formula: C8H4F3NO4 MolecularWeight: 235.11687

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(=O)O)[N+](=O)[O-])C(F)(F)F

Isomeric SMILES

C1=CC(=C(C=C1C(=O)O)[N+](=O)[O-])C(F)(F)F

InChI

InChI=1S/C8H4F3NO4/c9-8(10,11)5-2-1-4(7(13)14)3-6(5)12(15)16/h1-3H,(H,13,14)