2-[2-(2,2-dimethylpropyl)-6-nitro-phenyl]ethanenitrile

Systemtic Name: 2-[2-(2,2-dimethylpropyl)-6-nitro-phenyl]ethanenitrile Openeye Name: 2-[2-(2,2-dimethylpropyl)-6-nitro-phenyl]acetonitrile CAS Name: 2-[2-(2,2-dimethylpropyl)-6-nitrophenyl]acetonitrile IUPAC Name: 2-[2-(2,2-dimethylpropyl)-6-nitrophenyl]acetonitrile Traditional Name: 2-(2-neopentyl-6-nitro-phenyl)acetonitrile Formula: C13H16N2O2 MolecularWeight: 232.27834

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC1=C(C(=CC=C1)[N+](=O)[O-])CC#N

Isomeric SMILES

CC(C)(C)CC1=C(C(=CC=C1)[N+](=O)[O-])CC#N

InChI

InChI=1S/C13H16N2O2/c1-13(2,3)9-10-5-4-6-12(15(16)17)11(10)7-8-14/h4-6H,7,9H2,1-3H3