4-[2-bromanyl-4-(bromomethyl)-6-methoxy-phenoxy]butanenitrile

Systemtic Name: 4-[2-bromanyl-4-(bromomethyl)-6-methoxy-phenoxy]butanenitrile Openeye Name: 4-[2-bromo-4-(bromomethyl)-6-methoxy-phenoxy]butanenitrile CAS Name: 4-[2-bromo-4-(bromomethyl)-6-methoxyphenoxy]butanenitrile IUPAC Name: 4-[2-bromo-4-(bromomethyl)-6-methoxyphenoxy]butanenitrile Traditional Name: 4-[2-bromo-4-(bromomethyl)-6-methoxy-phenoxy]butyronitrile Formula: C12H13Br2NO2 MolecularWeight: 363.04512

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13Br2NO2/c1-16-11-7-9(8-13)6-10(14)12(11)17-5-3-2-4-15/h6-7H,2-3,5,8H2,1H3