2-nitro-4-[2-(1-pentyl-4-bicyclo[2.2.2]octanyl)ethyl]benzenecarbonitrile

Systemtic Name: 2-nitro-4-[2-(1-pentyl-4-bicyclo[2.2.2]octanyl)ethyl]benzenecarbonitrile Openeye Name: 2-nitro-4-[2-(1-pentyl-4-bicyclo[2.2.2]octanyl)ethyl]benzonitrile CAS Name: 2-nitro-4-[2-(1-pentyl-4-bicyclo[2.2.2]octanyl)ethyl]benzonitrile IUPAC Name: 2-nitro-4-[2-(1-pentyl-4-bicyclo[2.2.2]octanyl)ethyl]benzonitrile Traditional Name: 4-[2-(1-amyl-4-bicyclo[2.2.2]octanyl)ethyl]-2-nitro-benzonitrile Formula: C22H30N2O2 MolecularWeight: 354.4858

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC12CCC(CC1)(CC2)CCC3=CC(=C(C=C3)C#N)[N+](=O)[O-]

Isomeric SMILES

CCCCCC12CCC(CC1)(CC2)CCC3=CC(=C(C=C3)C#N)[N+](=O)[O-]

InChI

InChI=1S/C22H30N2O2/c1-2-3-4-8-21-10-13-22(14-11-21,15-12-21)9-7-18-5-6-19(17-23)20(16-18)24(25)26/h5-6,16H,2-4,7-15H2,1H3