(4-azanylidene-3-cyano-2-oxidanylidene-pentyl) 3-(trifluoromethyl)benzoate

Systemtic Name: (4-azanylidene-3-cyano-2-oxidanylidene-pentyl) 3-(trifluoromethyl)benzoate Openeye Name: (3-cyano-4-imino-2-oxo-pentyl) 3-(trifluoromethyl)benzoate CAS Name: 3-(trifluoromethyl)benzoic acid (3-cyano-4-imino-2-oxopentyl) ester IUPAC Name: (3-cyano-4-imino-2-oxopentyl) 3-(trifluoromethyl)benzoate Traditional Name: 3-(trifluoromethyl)benzoic acid (3-cyano-4-imino-2-keto-pentyl) ester Formula: C14H11F3N2O3 MolecularWeight: 312.24395

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=N)C(C#N)C(=O)COC(=O)C1=CC(=CC=C1)C(F)(F)F

Isomeric SMILES

CC(=N)C(C#N)C(=O)COC(=O)C1=CC(=CC=C1)C(F)(F)F

InChI

InChI=1S/C14H11F3N2O3/c1-8(19)11(6-18)12(20)7-22-13(21)9-3-2-4-10(5-9)14(15,16)17/h2-5,11,19H,7H2,1H3