[2-[(3-chlorophenyl)-(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] 4-fluoranylbenzoate

Systemtic Name: [2-[(3-chlorophenyl)-(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] 4-fluoranylbenzoate Openeye Name: [2-[3-chloro-N-(2-cyanoethyl)anilino]-2-oxo-ethyl] 4-fluorobenzoate CAS Name: 4-fluorobenzoic acid [2-[3-chloro-N-(2-cyanoethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[3-chloro-N-(2-cyanoethyl)anilino]-2-oxoethyl] 4-fluorobenzoate Traditional Name: 4-fluorobenzoic acid [2-[3-chloro-N-(2-cyanoethyl)anilino]-2-keto-ethyl] ester Formula: C18H14ClFN2O3 MolecularWeight: 360.766763

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H14ClFN2O3/c19-14-3-1-4-16(11-14)22(10-2-9-21)17(23)12-25-18(24)13-5-7-15(20)8-6-13/h1,3-8,11H,2,10,12H2