2-(4-bromanyl-3-methoxy-phenyl)ethanenitrile

Systemtic Name: 2-(4-bromanyl-3-methoxy-phenyl)ethanenitrile Openeye Name: 2-(4-bromo-3-methoxy-phenyl)acetonitrile CAS Name: 2-(4-bromo-3-methoxyphenyl)acetonitrile IUPAC Name: 2-(4-bromo-3-methoxyphenyl)acetonitrile Traditional Name: 2-(4-bromo-3-methoxy-phenyl)acetonitrile Formula: C9H8BrNO MolecularWeight: 226.06992

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CC#N)Br

Isomeric SMILES

COC1=C(C=CC(=C1)CC#N)Br

InChI

InChI=1S/C9H8BrNO/c1-12-9-6-7(4-5-11)2-3-8(9)10/h2-3,6H,4H2,1H3