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

Systemtic Name: 2-[3-[(5-bromanyl-2-methoxy-phenyl)methylamino]phenoxy]ethanenitrile Openeye Name: 2-[3-[(5-bromo-2-methoxy-phenyl)methylamino]phenoxy]acetonitrile CAS Name: 2-[3-[(5-bromo-2-methoxyphenyl)methylamino]phenoxy]acetonitrile IUPAC Name: 2-[3-[(5-bromo-2-methoxyphenyl)methylamino]phenoxy]acetonitrile Traditional Name: 2-[3-[(5-bromo-2-methoxy-benzyl)amino]phenoxy]acetonitrile Formula: C16H15BrN2O2 MolecularWeight: 347.2065

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)CNC2=CC(=CC=C2)OCC#N

Isomeric SMILES

COC1=C(C=C(C=C1)Br)CNC2=CC(=CC=C2)OCC#N

InChI

InChI=1S/C16H15BrN2O2/c1-20-16-6-5-13(17)9-12(16)11-19-14-3-2-4-15(10-14)21-8-7-18/h2-6,9-10,19H,8,11H2,1H3