4-[2-(bromomethyl)-5-propoxy-phenoxy]butanenitrile

Systemtic Name: 4-[2-(bromomethyl)-5-propoxy-phenoxy]butanenitrile Openeye Name: 4-[2-(bromomethyl)-5-propoxy-phenoxy]butanenitrile CAS Name: 4-[2-(bromomethyl)-5-propoxyphenoxy]butanenitrile IUPAC Name: 4-[2-(bromomethyl)-5-propoxyphenoxy]butanenitrile Traditional Name: 4-[2-(bromomethyl)-5-propoxy-phenoxy]butyronitrile Formula: C14H18BrNO2 MolecularWeight: 312.20222

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC(=C(C=C1)CBr)OCCCC#N

Isomeric SMILES

CCCOC1=CC(=C(C=C1)CBr)OCCCC#N

InChI

InChI=1S/C14H18BrNO2/c1-2-8-17-13-6-5-12(11-15)14(10-13)18-9-4-3-7-16/h5-6,10H,2-4,8-9,11H2,1H3