2-[3-[(5-bromanyl-2-fluoranyl-phenyl)methylamino]phenoxy]ethanenitrile

Systemtic Name: 2-[3-[(5-bromanyl-2-fluoranyl-phenyl)methylamino]phenoxy]ethanenitrile Openeye Name: 2-[3-[(5-bromo-2-fluoro-phenyl)methylamino]phenoxy]acetonitrile CAS Name: 2-[3-[(5-bromo-2-fluorophenyl)methylamino]phenoxy]acetonitrile IUPAC Name: 2-[3-[(5-bromo-2-fluorophenyl)methylamino]phenoxy]acetonitrile Traditional Name: 2-[3-[(5-bromo-2-fluoro-benzyl)amino]phenoxy]acetonitrile Formula: C15H12BrFN2O MolecularWeight: 335.170983

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)OCC#N)NCC2=C(C=CC(=C2)Br)F

Isomeric SMILES

C1=CC(=CC(=C1)OCC#N)NCC2=C(C=CC(=C2)Br)F

InChI

InChI=1S/C15H12BrFN2O/c16-12-4-5-15(17)11(8-12)10-19-13-2-1-3-14(9-13)20-7-6-18/h1-5,8-9,19H,7,10H2