2-[[5-bromanyl-4-(hydroxymethyl)-2-methoxy-phenoxy]methyl]benzenecarbonitrile

Systemtic Name: 2-[[5-bromanyl-4-(hydroxymethyl)-2-methoxy-phenoxy]methyl]benzenecarbonitrile Openeye Name: 2-[[5-bromo-4-(hydroxymethyl)-2-methoxy-phenoxy]methyl]benzonitrile CAS Name: 2-[[5-bromo-4-(hydroxymethyl)-2-methoxyphenoxy]methyl]benzonitrile IUPAC Name: 2-[[5-bromo-4-(hydroxymethyl)-2-methoxyphenoxy]methyl]benzonitrile Traditional Name: 2-[(5-bromo-2-methoxy-4-methylol-phenoxy)methyl]benzonitrile Formula: C16H14BrNO3 MolecularWeight: 348.19126

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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