3-methyl-2-[3,3,3-tris(fluoranyl)propanoylamino]benzoic acid

Systemtic Name: 3-methyl-2-[3,3,3-tris(fluoranyl)propanoylamino]benzoic acid Openeye Name: 3-methyl-2-(3,3,3-trifluoropropanoylamino)benzoic acid CAS Name: 3-methyl-2-[(3,3,3-trifluoro-1-oxopropyl)amino]benzoic acid IUPAC Name: 3-methyl-2-(3,3,3-trifluoropropanoylamino)benzoic acid Traditional Name: 3-methyl-2-(3,3,3-trifluoropropanoylamino)benzoic acid Formula: C11H10F3NO3 MolecularWeight: 261.19721

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H10F3NO3/c1-6-3-2-4-7(10(17)18)9(6)15-8(16)5-11(12,13)14/h2-4H,5H2,1H3,(H,15,16)(H,17,18)