4-[3-(4-bromanylphenoxy)phenyl]-4-oxidanyl-pentanenitrile

Systemtic Name: 4-[3-(4-bromanylphenoxy)phenyl]-4-oxidanyl-pentanenitrile Openeye Name: 4-[3-(4-bromophenoxy)phenyl]-4-hydroxy-pentanenitrile CAS Name: 4-[3-(4-bromophenoxy)phenyl]-4-hydroxypentanenitrile IUPAC Name: 4-[3-(4-bromophenoxy)phenyl]-4-hydroxypentanenitrile Traditional Name: 4-[3-(4-bromophenoxy)phenyl]-4-hydroxy-valeronitrile Formula: C17H16BrNO2 MolecularWeight: 346.21844

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC#N)(C1=CC(=CC=C1)OC2=CC=C(C=C2)Br)O

Isomeric SMILES

CC(CCC#N)(C1=CC(=CC=C1)OC2=CC=C(C=C2)Br)O

InChI

InChI=1S/C17H16BrNO2/c1-17(20,10-3-11-19)13-4-2-5-16(12-13)21-15-8-6-14(18)7-9-15/h2,4-9,12,20H,3,10H2,1H3