1-cyclobutyl-4-(4-iodophenyl)-3,5,8-trioxabicyclo[2.2.2]octane-2-carbonitrile

Systemtic Name: 1-cyclobutyl-4-(4-iodophenyl)-3,5,8-trioxabicyclo[2.2.2]octane-2-carbonitrile Openeye Name: 1-cyclobutyl-4-(4-iodophenyl)-3,5,8-trioxabicyclo[2.2.2]octane-2-carbonitrile CAS Name: 1-cyclobutyl-4-(4-iodophenyl)-3,5,8-trioxabicyclo[2.2.2]octane-2-carbonitrile IUPAC Name: 1-cyclobutyl-4-(4-iodophenyl)-3,5,8-trioxabicyclo[2.2.2]octane-2-carbonitrile Traditional Name: 1-cyclobutyl-4-(4-iodophenyl)-3,5,8-trioxabicyclo[2.2.2]octane-2-carbonitrile Formula: C16H16INO3 MolecularWeight: 397.20761

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C1)C23COC(OC2)(OC3C#N)C4=CC=C(C=C4)I

Isomeric SMILES

C1CC(C1)C23COC(OC2)(OC3C#N)C4=CC=C(C=C4)I

InChI

InChI=1S/C16H16INO3/c17-13-6-4-12(5-7-13)16-19-9-15(10-20-16,11-2-1-3-11)14(8-18)21-16/h4-7,11,14H,1-3,9-10H2