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

Systemtic Name: [2-[2-cyanoethyl-(4-fluorophenyl)amino]-2-oxidanylidene-ethyl] 2-fluoranylbenzoate Openeye Name: [2-[N-(2-cyanoethyl)-4-fluoro-anilino]-2-oxo-ethyl] 2-fluorobenzoate CAS Name: 2-fluorobenzoic acid [2-[N-(2-cyanoethyl)-4-fluoroanilino]-2-oxoethyl] ester IUPAC Name: [2-[N-(2-cyanoethyl)-4-fluoroanilino]-2-oxoethyl] 2-fluorobenzoate Traditional Name: 2-fluorobenzoic acid [2-[N-(2-cyanoethyl)-4-fluoro-anilino]-2-keto-ethyl] ester Formula: C18H14F2N2O3 MolecularWeight: 344.312166

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H14F2N2O3/c19-13-6-8-14(9-7-13)22(11-3-10-21)17(23)12-25-18(24)15-4-1-2-5-16(15)20/h1-2,4-9H,3,11-12H2