[2-[2-cyanoethyl-(4-fluorophenyl)amino]-2-oxidanylidene-ethyl] 5-bromanyl-2-oxidanyl-benzoate

Systemtic Name: [2-[2-cyanoethyl-(4-fluorophenyl)amino]-2-oxidanylidene-ethyl] 5-bromanyl-2-oxidanyl-benzoate Openeye Name: [2-[N-(2-cyanoethyl)-4-fluoro-anilino]-2-oxo-ethyl] 5-bromo-2-hydroxy-benzoate CAS Name: 5-bromo-2-hydroxybenzoic acid [2-[N-(2-cyanoethyl)-4-fluoroanilino]-2-oxoethyl] ester IUPAC Name: [2-[N-(2-cyanoethyl)-4-fluoroanilino]-2-oxoethyl] 5-bromo-2-hydroxybenzoate Traditional Name: 5-bromo-2-hydroxy-benzoic acid [2-[N-(2-cyanoethyl)-4-fluoro-anilino]-2-keto-ethyl] ester Formula: C18H14BrFN2O4 MolecularWeight: 421.217163

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1N(CCC#N)C(=O)COC(=O)C2=C(C=CC(=C2)Br)O)F

Isomeric SMILES

C1=CC(=CC=C1N(CCC#N)C(=O)COC(=O)C2=C(C=CC(=C2)Br)O)F

InChI

InChI=1S/C18H14BrFN2O4/c19-12-2-7-16(23)15(10-12)18(25)26-11-17(24)22(9-1-8-21)14-5-3-13(20)4-6-14/h2-7,10,23H,1,9,11H2