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

Systemtic Name: [2-[2-cyanoethyl-(2-fluorophenyl)amino]-2-oxidanylidene-ethyl] 4-cyanobenzoate Openeye Name: [2-[N-(2-cyanoethyl)-2-fluoro-anilino]-2-oxo-ethyl] 4-cyanobenzoate CAS Name: 4-cyanobenzoic acid [2-[N-(2-cyanoethyl)-2-fluoroanilino]-2-oxoethyl] ester IUPAC Name: [2-[N-(2-cyanoethyl)-2-fluoroanilino]-2-oxoethyl] 4-cyanobenzoate Traditional Name: 4-cyanobenzoic acid [2-[N-(2-cyanoethyl)-2-fluoro-anilino]-2-keto-ethyl] ester Formula: C19H14FN3O3 MolecularWeight: 351.331163

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H14FN3O3/c20-16-4-1-2-5-17(16)23(11-3-10-21)18(24)13-26-19(25)15-8-6-14(12-22)7-9-15/h1-2,4-9H,3,11,13H2