2-[[2-bromanyl-4-(hydroxymethyl)-6-methoxy-phenoxy]methyl]benzenecarbonitrile

Systemtic Name: 2-[[2-bromanyl-4-(hydroxymethyl)-6-methoxy-phenoxy]methyl]benzenecarbonitrile Openeye Name: 2-[[2-bromo-4-(hydroxymethyl)-6-methoxy-phenoxy]methyl]benzonitrile CAS Name: 2-[[2-bromo-4-(hydroxymethyl)-6-methoxyphenoxy]methyl]benzonitrile IUPAC Name: 2-[[2-bromo-4-(hydroxymethyl)-6-methoxyphenoxy]methyl]benzonitrile Traditional Name: 2-[(2-bromo-6-methoxy-4-methylol-phenoxy)methyl]benzonitrile Formula: C16H14BrNO3 MolecularWeight: 348.19126

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)CO)Br)OCC2=CC=CC=C2C#N

Isomeric SMILES

COC1=C(C(=CC(=C1)CO)Br)OCC2=CC=CC=C2C#N

InChI

InChI=1S/C16H14BrNO3/c1-20-15-7-11(9-19)6-14(17)16(15)21-10-13-5-3-2-4-12(13)8-18/h2-7,19H,9-10H2,1H3