5-chloranyl-2-[3,3,3-tris(fluoranyl)propanoylamino]benzoate

Systemtic Name: 5-chloranyl-2-[3,3,3-tris(fluoranyl)propanoylamino]benzoate Openeye Name: 5-chloro-2-(3,3,3-trifluoropropanoylamino)benzoate CAS Name: 5-chloro-2-[(3,3,3-trifluoro-1-oxopropyl)amino]benzoate IUPAC Name: 5-chloro-2-(3,3,3-trifluoropropanoylamino)benzoate Traditional Name: 5-chloro-2-(3,3,3-trifluoropropanoylamino)benzoate Formula: C10H6ClF3NO3- MolecularWeight: 280.60775

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1Cl)C(=O)[O-])NC(=O)CC(F)(F)F

Isomeric SMILES

C1=CC(=C(C=C1Cl)C(=O)[O-])NC(=O)CC(F)(F)F

InChI

InChI=1S/C10H7ClF3NO3/c11-5-1-2-7(6(3-5)9(17)18)15-8(16)4-10(12,13)14/h1-3H,4H2,(H,15,16)(H,17,18)/p-1