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

Systemtic Name: ethyl 4-[3,3,3-tris(fluoranyl)propanoylamino]benzoate Openeye Name: ethyl 4-(3,3,3-trifluoropropanoylamino)benzoate CAS Name: 4-[(3,3,3-trifluoro-1-oxopropyl)amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-(3,3,3-trifluoropropanoylamino)benzoate Traditional Name: 4-(3,3,3-trifluoropropanoylamino)benzoic acid ethyl ester Formula: C12H12F3NO3 MolecularWeight: 275.22379

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H12F3NO3/c1-2-19-11(18)8-3-5-9(6-4-8)16-10(17)7-12(13,14)15/h3-6H,2,7H2,1H3,(H,16,17)