2-[4-bromanyl-2-(3,5-dimethoxyphenoxy)phenyl]ethanenitrile

Systemtic Name: 2-[4-bromanyl-2-(3,5-dimethoxyphenoxy)phenyl]ethanenitrile Openeye Name: 2-[4-bromo-2-(3,5-dimethoxyphenoxy)phenyl]acetonitrile CAS Name: 2-[4-bromo-2-(3,5-dimethoxyphenoxy)phenyl]acetonitrile IUPAC Name: 2-[4-bromo-2-(3,5-dimethoxyphenoxy)phenyl]acetonitrile Traditional Name: 2-[4-bromo-2-(3,5-dimethoxyphenoxy)phenyl]acetonitrile Formula: C16H14BrNO3 MolecularWeight: 348.19126

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)OC2=C(C=CC(=C2)Br)CC#N)OC

Isomeric SMILES

COC1=CC(=CC(=C1)OC2=C(C=CC(=C2)Br)CC#N)OC

InChI

InChI=1S/C16H14BrNO3/c1-19-13-8-14(20-2)10-15(9-13)21-16-7-12(17)4-3-11(16)5-6-18/h3-4,7-10H,5H2,1-2H3