2-nitro-4-(trifluoromethyl)benzoic acid

Systemtic Name: 2-nitro-4-(trifluoromethyl)benzoic acid Openeye Name: 2-nitro-4-(trifluoromethyl)benzoic acid CAS Name: 2-nitro-4-(trifluoromethyl)benzoic acid IUPAC Name: 2-nitro-4-(trifluoromethyl)benzoic acid Traditional Name: 2-nitro-4-(trifluoromethyl)benzoic acid Formula: C8H4F3NO4 MolecularWeight: 235.11687

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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