[2-[cyanomethyl(phenyl)amino]-2-oxidanylidene-ethyl] 2-bromanyl-5-fluoranyl-benzoate

Systemtic Name: [2-[cyanomethyl(phenyl)amino]-2-oxidanylidene-ethyl] 2-bromanyl-5-fluoranyl-benzoate Openeye Name: [2-[N-(cyanomethyl)anilino]-2-oxo-ethyl] 2-bromo-5-fluoro-benzoate CAS Name: 2-bromo-5-fluorobenzoic acid [2-[N-(cyanomethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[N-(cyanomethyl)anilino]-2-oxoethyl] 2-bromo-5-fluorobenzoate Traditional Name: 2-bromo-5-fluoro-benzoic acid [2-[N-(cyanomethyl)anilino]-2-keto-ethyl] ester Formula: C17H12BrFN2O3 MolecularWeight: 391.191183

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H12BrFN2O3/c18-15-7-6-12(19)10-14(15)17(23)24-11-16(22)21(9-8-20)13-4-2-1-3-5-13/h1-7,10H,9,11H2