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

Systemtic Name: [2-[2-cyanoethyl-(4-fluorophenyl)amino]-2-oxidanylidene-ethyl] 4-chloranyl-2-oxidanyl-benzoate Openeye Name: [2-[N-(2-cyanoethyl)-4-fluoro-anilino]-2-oxo-ethyl] 4-chloro-2-hydroxy-benzoate CAS Name: 4-chloro-2-hydroxybenzoic acid [2-[N-(2-cyanoethyl)-4-fluoroanilino]-2-oxoethyl] ester IUPAC Name: [2-[N-(2-cyanoethyl)-4-fluoroanilino]-2-oxoethyl] 4-chloro-2-hydroxybenzoate Traditional Name: 4-chloro-2-hydroxy-benzoic acid [2-[N-(2-cyanoethyl)-4-fluoro-anilino]-2-keto-ethyl] ester Formula: C18H14ClFN2O4 MolecularWeight: 376.766163

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H14ClFN2O4/c19-12-2-7-15(16(23)10-12)18(25)26-11-17(24)22(9-1-8-21)14-5-3-13(20)4-6-14/h2-7,10,23H,1,9,11H2