2-(3-bromanyl-5-propoxy-phenyl)ethanenitrile

Systemtic Name: 2-(3-bromanyl-5-propoxy-phenyl)ethanenitrile Openeye Name: 2-(3-bromo-5-propoxy-phenyl)acetonitrile CAS Name: 2-(3-bromo-5-propoxyphenyl)acetonitrile IUPAC Name: 2-(3-bromo-5-propoxyphenyl)acetonitrile Traditional Name: 2-(3-bromo-5-propoxy-phenyl)acetonitrile Formula: C11H12BrNO MolecularWeight: 254.12308

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC(=CC(=C1)CC#N)Br

Isomeric SMILES

CCCOC1=CC(=CC(=C1)CC#N)Br

InChI

InChI=1S/C11H12BrNO/c1-2-5-14-11-7-9(3-4-13)6-10(12)8-11/h6-8H,2-3,5H2,1H3