3-(2,6-dimethyl-4-nitro-phenyl)-4-methylperoxy-3-(methylperoxymethyl)butanenitrile

Systemtic Name: 3-(2,6-dimethyl-4-nitro-phenyl)-4-methylperoxy-3-(methylperoxymethyl)butanenitrile Openeye Name: 3-(2,6-dimethyl-4-nitro-phenyl)-4-methylperoxy-3-(methylperoxymethyl)butanenitrile CAS Name: 3-(2,6-dimethyl-4-nitrophenyl)-4-methyldioxy-3-(methyldioxymethyl)butanenitrile IUPAC Name: 3-(2,6-dimethyl-4-nitrophenyl)-4-methylperoxy-3-(methylperoxymethyl)butanenitrile Traditional Name: 3-(2,6-dimethyl-4-nitro-phenyl)-4-methylperoxy-3-(methylperoxymethyl)butyronitrile Formula: C15H20N2O6 MolecularWeight: 324.3291

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1C(CC#N)(COOC)COOC)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC(=C1C(CC#N)(COOC)COOC)C)[N+](=O)[O-]

InChI

InChI=1S/C15H20N2O6/c1-11-7-13(17(18)19)8-12(2)14(11)15(5-6-16,9-22-20-3)10-23-21-4/h7-8H,5,9-10H2,1-4H3