[2-[2-cyanoethyl-(4-fluorophenyl)amino]-2-oxidanylidene-ethyl] 3-chloranylbenzoate

Systemtic Name: [2-[2-cyanoethyl-(4-fluorophenyl)amino]-2-oxidanylidene-ethyl] 3-chloranylbenzoate Openeye Name: [2-[N-(2-cyanoethyl)-4-fluoro-anilino]-2-oxo-ethyl] 3-chlorobenzoate CAS Name: 3-chlorobenzoic acid [2-[N-(2-cyanoethyl)-4-fluoroanilino]-2-oxoethyl] ester IUPAC Name: [2-[N-(2-cyanoethyl)-4-fluoroanilino]-2-oxoethyl] 3-chlorobenzoate Traditional Name: 3-chlorobenzoic acid [2-[N-(2-cyanoethyl)-4-fluoro-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)C(=O)OCC(=O)N(CCC#N)C2=CC=C(C=C2)F

Isomeric SMILES

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

InChI

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