4-[2,2,2-tris(fluoranyl)ethanoylamino]benzoic acid

Systemtic Name: 4-[2,2,2-tris(fluoranyl)ethanoylamino]benzoic acid Openeye Name: 4-[(2,2,2-trifluoroacetyl)amino]benzoic acid CAS Name: 4-[(2,2,2-trifluoro-1-oxoethyl)amino]benzoic acid IUPAC Name: 4-[(2,2,2-trifluoroacetyl)amino]benzoic acid Traditional Name: 4-[(2,2,2-trifluoroacetyl)amino]benzoic acid Formula: C9H6F3NO3 MolecularWeight: 239.099979

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)O)NC(=O)C(F)(F)F

Isomeric SMILES

[13CH]1=[13CH][13C](=[13CH][13CH]=[13C]1C(=O)O)NC(=O)C(F)(F)F

InChI

InChI=1S/C9H6F3NO3/c10-9(11,12)8(16)13-6-3-1-5(2-4-6)7(14)15/h1-4H,(H,13,16)(H,14,15)/i1+1,2+1,3+1,4+1,5+1,6+1