3-[[5-(bromomethyl)-2-methoxy-phenoxy]methyl]-4-fluoranyl-benzenecarbonitrile

Systemtic Name: 3-[[5-(bromomethyl)-2-methoxy-phenoxy]methyl]-4-fluoranyl-benzenecarbonitrile Openeye Name: 3-[[5-(bromomethyl)-2-methoxy-phenoxy]methyl]-4-fluoro-benzonitrile CAS Name: 3-[[5-(bromomethyl)-2-methoxyphenoxy]methyl]-4-fluorobenzonitrile IUPAC Name: 3-[[5-(bromomethyl)-2-methoxyphenoxy]methyl]-4-fluorobenzonitrile Traditional Name: 3-[[5-(bromomethyl)-2-methoxy-phenoxy]methyl]-4-fluoro-benzonitrile Formula: C16H13BrFNO2 MolecularWeight: 350.182323

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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