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

Systemtic Name: [2-[2-cyanoethyl-(4-fluorophenyl)amino]-2-oxidanylidene-ethyl] 4-chloranylbenzoate Openeye Name: [2-[N-(2-cyanoethyl)-4-fluoro-anilino]-2-oxo-ethyl] 4-chlorobenzoate CAS Name: 4-chlorobenzoic acid [2-[N-(2-cyanoethyl)-4-fluoroanilino]-2-oxoethyl] ester IUPAC Name: [2-[N-(2-cyanoethyl)-4-fluoroanilino]-2-oxoethyl] 4-chlorobenzoate Traditional Name: 4-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=C1C(=O)OCC(=O)N(CCC#N)C2=CC=C(C=C2)F)Cl

Isomeric SMILES

C1=CC(=CC=C1C(=O)OCC(=O)N(CCC#N)C2=CC=C(C=C2)F)Cl

InChI

InChI=1S/C18H14ClFN2O3/c19-14-4-2-13(3-5-14)18(24)25-12-17(23)22(11-1-10-21)16-8-6-15(20)7-9-16/h2-9H,1,11-12H2