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

Systemtic Name: [2-[2-cyanoethyl-(2-fluorophenyl)amino]-2-oxidanylidene-ethyl] 4-bromanyl-2-fluoranyl-benzoate Openeye Name: [2-[N-(2-cyanoethyl)-2-fluoro-anilino]-2-oxo-ethyl] 4-bromo-2-fluoro-benzoate CAS Name: 4-bromo-2-fluorobenzoic acid [2-[N-(2-cyanoethyl)-2-fluoroanilino]-2-oxoethyl] ester IUPAC Name: [2-[N-(2-cyanoethyl)-2-fluoroanilino]-2-oxoethyl] 4-bromo-2-fluorobenzoate Traditional Name: 4-bromo-2-fluoro-benzoic acid [2-[N-(2-cyanoethyl)-2-fluoro-anilino]-2-keto-ethyl] ester Formula: C18H13BrF2N2O3 MolecularWeight: 423.208226

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H13BrF2N2O3/c19-12-6-7-13(15(21)10-12)18(25)26-11-17(24)23(9-3-8-22)16-5-2-1-4-14(16)20/h1-2,4-7,10H,3,9,11H2