2-[4-[(3-bromanyl-4-fluoranyl-phenyl)methylamino]phenoxy]ethanenitrile

Systemtic Name: 2-[4-[(3-bromanyl-4-fluoranyl-phenyl)methylamino]phenoxy]ethanenitrile Openeye Name: 2-[4-[(3-bromo-4-fluoro-phenyl)methylamino]phenoxy]acetonitrile CAS Name: 2-[4-[(3-bromo-4-fluorophenyl)methylamino]phenoxy]acetonitrile IUPAC Name: 2-[4-[(3-bromo-4-fluorophenyl)methylamino]phenoxy]acetonitrile Traditional Name: 2-[4-[(3-bromo-4-fluoro-benzyl)amino]phenoxy]acetonitrile Formula: C15H12BrFN2O MolecularWeight: 335.170983

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NCC2=CC(=C(C=C2)F)Br)OCC#N

Isomeric SMILES

C1=CC(=CC=C1NCC2=CC(=C(C=C2)F)Br)OCC#N

InChI

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