4-(4-methyl-2,6,7-trioxa-1-boranuidabicyclo[2.2.2]octan-1-yl)benzenecarbonitrile

Systemtic Name: 4-(4-methyl-2,6,7-trioxa-1-boranuidabicyclo[2.2.2]octan-1-yl)benzenecarbonitrile Openeye Name: 4-(4-methyl-2,6,7-trioxa-1-boranuidabicyclo[2.2.2]octan-1-yl)benzonitrile CAS Name: 4-(4-methyl-2,6,7-trioxa-1-boranuidabicyclo[2.2.2]octan-1-yl)benzonitrile IUPAC Name: 4-(4-methyl-2,6,7-trioxa-1-boranuidabicyclo[2.2.2]octan-1-yl)benzonitrile Traditional Name: 4-(4-methyl-2,6,7-trioxa-1-boranuidabicyclo[2.2.2]octan-1-yl)benzonitrile Formula: C12H13BNO3- MolecularWeight: 230.04752

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

[B-]12(OCC(CO1)(CO2)C)C3=CC=C(C=C3)C#N

Isomeric SMILES

[B-]12(OCC(CO1)(CO2)C)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C12H13BNO3/c1-12-7-15-13(16-8-12,17-9-12)11-4-2-10(6-14)3-5-11/h2-5H,7-9H2,1H3/q-1