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

Systemtic Name: 2-nitro-4-(1-pentyl-4-bicyclo[2.2.2]octanyl)benzenecarbonitrile Openeye Name: 2-nitro-4-(1-pentyl-4-bicyclo[2.2.2]octanyl)benzonitrile CAS Name: 2-nitro-4-(1-pentyl-4-bicyclo[2.2.2]octanyl)benzonitrile IUPAC Name: 2-nitro-4-(1-pentyl-4-bicyclo[2.2.2]octanyl)benzonitrile Traditional Name: 4-(1-amyl-4-bicyclo[2.2.2]octanyl)-2-nitro-benzonitrile Formula: C20H26N2O2 MolecularWeight: 326.43264

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26N2O2/c1-2-3-4-7-19-8-11-20(12-9-19,13-10-19)17-6-5-16(15-21)18(14-17)22(23)24/h5-6,14H,2-4,7-13H2,1H3