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

Systemtic Name: 2-[3-[(3-bromanyl-4-fluoranyl-phenyl)methylamino]phenoxy]ethanenitrile Openeye Name: 2-[3-[(3-bromo-4-fluoro-phenyl)methylamino]phenoxy]acetonitrile CAS Name: 2-[3-[(3-bromo-4-fluorophenyl)methylamino]phenoxy]acetonitrile IUPAC Name: 2-[3-[(3-bromo-4-fluorophenyl)methylamino]phenoxy]acetonitrile Traditional Name: 2-[3-[(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(=C1)OCC#N)NCC2=CC(=C(C=C2)F)Br

Isomeric SMILES

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

InChI

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