[2-[2-cyanoethyl-(4-fluorophenyl)amino]-2-oxidanylidene-ethyl] 2-chloranyl-4-fluoranyl-benzoate

Systemtic Name: [2-[2-cyanoethyl-(4-fluorophenyl)amino]-2-oxidanylidene-ethyl] 2-chloranyl-4-fluoranyl-benzoate Openeye Name: [2-[N-(2-cyanoethyl)-4-fluoro-anilino]-2-oxo-ethyl] 2-chloro-4-fluoro-benzoate CAS Name: 2-chloro-4-fluorobenzoic acid [2-[N-(2-cyanoethyl)-4-fluoroanilino]-2-oxoethyl] ester IUPAC Name: [2-[N-(2-cyanoethyl)-4-fluoroanilino]-2-oxoethyl] 2-chloro-4-fluorobenzoate Traditional Name: 2-chloro-4-fluoro-benzoic acid [2-[N-(2-cyanoethyl)-4-fluoro-anilino]-2-keto-ethyl] ester Formula: C18H13ClF2N2O3 MolecularWeight: 378.757226

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1N(CCC#N)C(=O)COC(=O)C2=C(C=C(C=C2)F)Cl)F

Isomeric SMILES

C1=CC(=CC=C1N(CCC#N)C(=O)COC(=O)C2=C(C=C(C=C2)F)Cl)F

InChI

InChI=1S/C18H13ClF2N2O3/c19-16-10-13(21)4-7-15(16)18(25)26-11-17(24)23(9-1-8-22)14-5-2-12(20)3-6-14/h2-7,10H,1,9,11H2