[2-[2-cyanoethyl-(4-fluorophenyl)amino]-2-oxidanylidene-ethyl] 2-chloranyl-6-fluoranyl-benzoate

Systemtic Name: [2-[2-cyanoethyl-(4-fluorophenyl)amino]-2-oxidanylidene-ethyl] 2-chloranyl-6-fluoranyl-benzoate Openeye Name: [2-[N-(2-cyanoethyl)-4-fluoro-anilino]-2-oxo-ethyl] 2-chloro-6-fluoro-benzoate CAS Name: 2-chloro-6-fluorobenzoic acid [2-[N-(2-cyanoethyl)-4-fluoroanilino]-2-oxoethyl] ester IUPAC Name: [2-[N-(2-cyanoethyl)-4-fluoroanilino]-2-oxoethyl] 2-chloro-6-fluorobenzoate Traditional Name: 2-chloro-6-fluoro-benzoic acid [2-[N-(2-cyanoethyl)-4-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)Cl)C(=O)OCC(=O)N(CCC#N)C2=CC=C(C=C2)F)F

Isomeric SMILES

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

InChI

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