3-[[2-(bromomethyl)-4-methoxy-phenoxy]methyl]-4-fluoranyl-benzenecarbonitrile

Systemtic Name: 3-[[2-(bromomethyl)-4-methoxy-phenoxy]methyl]-4-fluoranyl-benzenecarbonitrile Openeye Name: 3-[[2-(bromomethyl)-4-methoxy-phenoxy]methyl]-4-fluoro-benzonitrile CAS Name: 3-[[2-(bromomethyl)-4-methoxyphenoxy]methyl]-4-fluorobenzonitrile IUPAC Name: 3-[[2-(bromomethyl)-4-methoxyphenoxy]methyl]-4-fluorobenzonitrile Traditional Name: 3-[[2-(bromomethyl)-4-methoxy-phenoxy]methyl]-4-fluoro-benzonitrile Formula: C16H13BrFNO2 MolecularWeight: 350.182323

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OCC2=C(C=CC(=C2)C#N)F)CBr

Isomeric SMILES

COC1=CC(=C(C=C1)OCC2=C(C=CC(=C2)C#N)F)CBr

InChI

InChI=1S/C16H13BrFNO2/c1-20-14-3-5-16(12(7-14)8-17)21-10-13-6-11(9-19)2-4-15(13)18/h2-7H,8,10H2,1H3