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

Systemtic Name: 4-(1-butyl-4-bicyclo[2.2.2]octanyl)-2-nitro-benzenecarbonitrile Openeye Name: 4-(1-butyl-4-bicyclo[2.2.2]octanyl)-2-nitro-benzonitrile CAS Name: 4-(1-butyl-4-bicyclo[2.2.2]octanyl)-2-nitrobenzonitrile IUPAC Name: 4-(1-butyl-4-bicyclo[2.2.2]octanyl)-2-nitrobenzonitrile Traditional Name: 4-(1-butyl-4-bicyclo[2.2.2]octanyl)-2-nitro-benzonitrile Formula: C19H24N2O2 MolecularWeight: 312.40606

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC12CCC(CC1)(CC2)C3=CC(=C(C=C3)C#N)[N+](=O)[O-]

Isomeric SMILES

CCCCC12CCC(CC1)(CC2)C3=CC(=C(C=C3)C#N)[N+](=O)[O-]

InChI

InChI=1S/C19H24N2O2/c1-2-3-6-18-7-10-19(11-8-18,12-9-18)16-5-4-15(14-20)17(13-16)21(22)23/h4-5,13H,2-3,6-12H2,1H3