4-methyl-3-[2,2,2-tris(fluoranyl)ethanoylamino]benzoate

Systemtic Name: 4-methyl-3-[2,2,2-tris(fluoranyl)ethanoylamino]benzoate Openeye Name: 4-methyl-3-[(2,2,2-trifluoroacetyl)amino]benzoate CAS Name: 4-methyl-3-[(2,2,2-trifluoro-1-oxoethyl)amino]benzoate IUPAC Name: 4-methyl-3-[(2,2,2-trifluoroacetyl)amino]benzoate Traditional Name: 4-methyl-3-[(2,2,2-trifluoroacetyl)amino]benzoate Formula: C10H7F3NO3- MolecularWeight: 246.16269

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H8F3NO3/c1-5-2-3-6(8(15)16)4-7(5)14-9(17)10(11,12)13/h2-4H,1H3,(H,14,17)(H,15,16)/p-1