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

Systemtic Name: [2-[2-cyanoethyl-(4-ethoxyphenyl)amino]-2-oxidanylidene-ethyl] 2-chloranyl-4-fluoranyl-benzoate Openeye Name: [2-[N-(2-cyanoethyl)-4-ethoxy-anilino]-2-oxo-ethyl] 2-chloro-4-fluoro-benzoate CAS Name: 2-chloro-4-fluorobenzoic acid [2-[N-(2-cyanoethyl)-4-ethoxyanilino]-2-oxoethyl] ester IUPAC Name: [2-[N-(2-cyanoethyl)-4-ethoxyanilino]-2-oxoethyl] 2-chloro-4-fluorobenzoate Traditional Name: 2-chloro-4-fluoro-benzoic acid [2-[N-(2-cyanoethyl)-4-ethoxy-anilino]-2-keto-ethyl] ester Formula: C20H18ClFN2O4 MolecularWeight: 404.819323

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N(CCC#N)C(=O)COC(=O)C2=C(C=C(C=C2)F)Cl

Isomeric SMILES

CCOC1=CC=C(C=C1)N(CCC#N)C(=O)COC(=O)C2=C(C=C(C=C2)F)Cl

InChI

InChI=1S/C20H18ClFN2O4/c1-2-27-16-7-5-15(6-8-16)24(11-3-10-23)19(25)13-28-20(26)17-9-4-14(22)12-18(17)21/h4-9,12H,2-3,11,13H2,1H3