2-(2-bromanyl-4,5-diethoxy-phenyl)ethanenitrile

Systemtic Name: 2-(2-bromanyl-4,5-diethoxy-phenyl)ethanenitrile Openeye Name: 2-(2-bromo-4,5-diethoxy-phenyl)acetonitrile CAS Name: 2-(2-bromo-4,5-diethoxyphenyl)acetonitrile IUPAC Name: 2-(2-bromo-4,5-diethoxyphenyl)acetonitrile Traditional Name: 2-(2-bromo-4,5-diethoxy-phenyl)acetonitrile Formula: C12H14BrNO2 MolecularWeight: 284.14906

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C(=C1)CC#N)Br)OCC

Isomeric SMILES

CCOC1=C(C=C(C(=C1)CC#N)Br)OCC

InChI

InChI=1S/C12H14BrNO2/c1-3-15-11-7-9(5-6-14)10(13)8-12(11)16-4-2/h7-8H,3-5H2,1-2H3