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

Systemtic Name: [2-[2-cyanoethyl-(4-fluorophenyl)amino]-2-oxidanylidene-ethyl] 2-iodanylbenzoate Openeye Name: [2-[N-(2-cyanoethyl)-4-fluoro-anilino]-2-oxo-ethyl] 2-iodobenzoate CAS Name: 2-iodobenzoic acid [2-[N-(2-cyanoethyl)-4-fluoroanilino]-2-oxoethyl] ester IUPAC Name: [2-[N-(2-cyanoethyl)-4-fluoroanilino]-2-oxoethyl] 2-iodobenzoate Traditional Name: 2-iodobenzoic acid [2-[N-(2-cyanoethyl)-4-fluoro-anilino]-2-keto-ethyl] ester Formula: C18H14FIN2O3 MolecularWeight: 452.218233

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H14FIN2O3/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