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

Systemtic Name: 4-[2-bromanyl-4-(hydroxymethyl)-6-methoxy-phenoxy]butanenitrile Openeye Name: 4-[2-bromo-4-(hydroxymethyl)-6-methoxy-phenoxy]butanenitrile CAS Name: 4-[2-bromo-4-(hydroxymethyl)-6-methoxyphenoxy]butanenitrile IUPAC Name: 4-[2-bromo-4-(hydroxymethyl)-6-methoxyphenoxy]butanenitrile Traditional Name: 4-(2-bromo-6-methoxy-4-methylol-phenoxy)butyronitrile Formula: C12H14BrNO3 MolecularWeight: 300.14846

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14BrNO3/c1-16-11-7-9(8-15)6-10(13)12(11)17-5-3-2-4-14/h6-7,15H,2-3,5,8H2,1H3