2-[2-bromanyl-3-(cyanomethyl)phenyl]ethanenitrile

Systemtic Name: 2-[2-bromanyl-3-(cyanomethyl)phenyl]ethanenitrile Openeye Name: 2-[2-bromo-3-(cyanomethyl)phenyl]acetonitrile CAS Name: 2-[2-bromo-3-(cyanomethyl)phenyl]acetonitrile IUPAC Name: 2-[2-bromo-3-(cyanomethyl)phenyl]acetonitrile Traditional Name: 2-[2-bromo-3-(cyanomethyl)phenyl]acetonitrile Formula: C10H7BrN2 MolecularWeight: 235.07998

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H7BrN2/c11-10-8(4-6-12)2-1-3-9(10)5-7-13/h1-3H,4-5H2