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

Systemtic Name: 5-methyl-2-[3,3,3-tris(fluoranyl)propanoylamino]benzoic acid Openeye Name: 5-methyl-2-(3,3,3-trifluoropropanoylamino)benzoic acid CAS Name: 5-methyl-2-[(3,3,3-trifluoro-1-oxopropyl)amino]benzoic acid IUPAC Name: 5-methyl-2-(3,3,3-trifluoropropanoylamino)benzoic acid Traditional Name: 5-methyl-2-(3,3,3-trifluoropropanoylamino)benzoic acid Formula: C11H10F3NO3 MolecularWeight: 261.19721

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)CC(F)(F)F)C(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)CC(F)(F)F)C(=O)O

InChI

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