2-ethynyl-3-[2,2,2-tris(fluoranyl)ethanoylamino]benzoic acid

Systemtic Name: 2-ethynyl-3-[2,2,2-tris(fluoranyl)ethanoylamino]benzoic acid Openeye Name: 2-ethynyl-3-[(2,2,2-trifluoroacetyl)amino]benzoic acid CAS Name: 2-ethynyl-3-[(2,2,2-trifluoro-1-oxoethyl)amino]benzoic acid IUPAC Name: 2-ethynyl-3-[(2,2,2-trifluoroacetyl)amino]benzoic acid Traditional Name: 2-ethynyl-3-[(2,2,2-trifluoroacetyl)amino]benzoic acid Formula: C11H6F3NO3 MolecularWeight: 257.16545

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1=C(C=CC=C1NC(=O)C(F)(F)F)C(=O)O

Isomeric SMILES

C#CC1=C(C=CC=C1NC(=O)C(F)(F)F)C(=O)O

InChI

InChI=1S/C11H6F3NO3/c1-2-6-7(9(16)17)4-3-5-8(6)15-10(18)11(12,13)14/h1,3-5H,(H,15,18)(H,16,17)