2-[4-cyano-2-[2,2,2-tris(fluoranyl)ethanoylamino]phenyl]ethanoate

Systemtic Name: 2-[4-cyano-2-[2,2,2-tris(fluoranyl)ethanoylamino]phenyl]ethanoate Openeye Name: 2-[4-cyano-2-[(2,2,2-trifluoroacetyl)amino]phenyl]acetate CAS Name: 2-[4-cyano-2-[(2,2,2-trifluoro-1-oxoethyl)amino]phenyl]acetate IUPAC Name: 2-[4-cyano-2-[(2,2,2-trifluoroacetyl)amino]phenyl]acetate Traditional Name: 2-[4-cyano-2-[(2,2,2-trifluoroacetyl)amino]phenyl]acetate Formula: C11H6F3N2O3- MolecularWeight: 271.17215

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C#N)NC(=O)C(F)(F)F)CC(=O)[O-]

Isomeric SMILES

C1=CC(=C(C=C1C#N)NC(=O)C(F)(F)F)CC(=O)[O-]

InChI

InChI=1S/C11H7F3N2O3/c12-11(13,14)10(19)16-8-3-6(5-15)1-2-7(8)4-9(17)18/h1-3H,4H2,(H,16,19)(H,17,18)/p-1