2-(2-nitro-1-phenyl-ethyl)octanenitrile

Systemtic Name: 2-(2-nitro-1-phenyl-ethyl)octanenitrile Openeye Name: 2-(2-nitro-1-phenyl-ethyl)octanenitrile CAS Name: 2-(2-nitro-1-phenylethyl)octanenitrile IUPAC Name: 2-(2-nitro-1-phenylethyl)octanenitrile Traditional Name: 2-(2-nitro-1-phenyl-ethyl)caprylonitrile Formula: C16H22N2O2 MolecularWeight: 274.35808

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C#N)C(C[N+](=O)[O-])C1=CC=CC=C1

Isomeric SMILES

CCCCCCC(C#N)C(C[N+](=O)[O-])C1=CC=CC=C1

InChI

InChI=1S/C16H22N2O2/c1-2-3-4-6-11-15(12-17)16(13-18(19)20)14-9-7-5-8-10-14/h5,7-10,15-16H,2-4,6,11,13H2,1H3