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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H13ClF2N2O3/c19-14-10-12(20)6-7-13(14)18(25)26-11-17(24)23(9-3-8-22)16-5-2-1-4-15(16)21/h1-2,4-7,10H,3,9,11H2