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

Systemtic Name: 4-[2-bromanyl-6-ethoxy-4-(hydroxymethyl)phenoxy]butanenitrile Openeye Name: 4-[2-bromo-6-ethoxy-4-(hydroxymethyl)phenoxy]butanenitrile CAS Name: 4-[2-bromo-6-ethoxy-4-(hydroxymethyl)phenoxy]butanenitrile IUPAC Name: 4-[2-bromo-6-ethoxy-4-(hydroxymethyl)phenoxy]butanenitrile Traditional Name: 4-(2-bromo-6-ethoxy-4-methylol-phenoxy)butyronitrile Formula: C13H16BrNO3 MolecularWeight: 314.17504

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)CO)Br)OCCCC#N

Isomeric SMILES

CCOC1=C(C(=CC(=C1)CO)Br)OCCCC#N

InChI

InChI=1S/C13H16BrNO3/c1-2-17-12-8-10(9-16)7-11(14)13(12)18-6-4-3-5-15/h7-8,16H,2-4,6,9H2,1H3