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

Systemtic Name: 2-[3-[(3-bromanyl-4-methoxy-phenyl)methylamino]phenoxy]ethanenitrile Openeye Name: 2-[3-[(3-bromo-4-methoxy-phenyl)methylamino]phenoxy]acetonitrile CAS Name: 2-[3-[(3-bromo-4-methoxyphenyl)methylamino]phenoxy]acetonitrile IUPAC Name: 2-[3-[(3-bromo-4-methoxyphenyl)methylamino]phenoxy]acetonitrile Traditional Name: 2-[3-[(3-bromo-4-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)CNC2=CC(=CC=C2)OCC#N)Br

Isomeric SMILES

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

InChI

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