3-methyl-4-[3,3,3-tris(fluoranyl)propanoylamino]benzoate

Systemtic Name: 3-methyl-4-[3,3,3-tris(fluoranyl)propanoylamino]benzoate Openeye Name: 3-methyl-4-(3,3,3-trifluoropropanoylamino)benzoate CAS Name: 3-methyl-4-[(3,3,3-trifluoro-1-oxopropyl)amino]benzoate IUPAC Name: 3-methyl-4-(3,3,3-trifluoropropanoylamino)benzoate Traditional Name: 3-methyl-4-(3,3,3-trifluoropropanoylamino)benzoate Formula: C11H9F3NO3- MolecularWeight: 260.18927

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)[O-])NC(=O)CC(F)(F)F

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)[O-])NC(=O)CC(F)(F)F

InChI

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