3-nitro-4-(trifluoromethyl)benzoate

Systemtic Name: 3-nitro-4-(trifluoromethyl)benzoate Openeye Name: 3-nitro-4-(trifluoromethyl)benzoate CAS Name: 3-nitro-4-(trifluoromethyl)benzoate IUPAC Name: 3-nitro-4-(trifluoromethyl)benzoate Traditional Name: 3-nitro-4-(trifluoromethyl)benzoate Formula: C8H3F3NO4- MolecularWeight: 234.10893

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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)/p-1