2-[3-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-4-methoxy-phenyl]ethanenitrile

Systemtic Name: 2-[3-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-4-methoxy-phenyl]ethanenitrile Openeye Name: 2-[3-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-4-methoxy-phenyl]acetonitrile CAS Name: 2-[3-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-4-methoxyphenyl]acetonitrile IUPAC Name: 2-[3-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-4-methoxyphenyl]acetonitrile Traditional Name: 2-[3-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-4-methoxy-phenyl]acetonitrile Formula: C14H18BNO3 MolecularWeight: 259.10862

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Descriptors Computed from Structure

Canonical SMILES:

B1(OCC(CO1)(C)C)C2=C(C=CC(=C2)CC#N)OC

Isomeric SMILES

B1(OCC(CO1)(C)C)C2=C(C=CC(=C2)CC#N)OC

InChI

InChI=1S/C14H18BNO3/c1-14(2)9-18-15(19-10-14)12-8-11(6-7-16)4-5-13(12)17-3/h4-5,8H,6,9-10H2,1-3H3