2-tert-butyl-5-[(3,5-dinitro-4-oxidanyl-phenyl)methylidene]-2-methyl-1,3-dioxane-4,6-dione

Systemtic Name: 2-tert-butyl-5-[(3,5-dinitro-4-oxidanyl-phenyl)methylidene]-2-methyl-1,3-dioxane-4,6-dione Openeye Name: 2-tert-butyl-5-[(4-hydroxy-3,5-dinitro-phenyl)methylene]-2-methyl-1,3-dioxane-4,6-dione CAS Name: 2-tert-butyl-5-[(4-hydroxy-3,5-dinitrophenyl)methylidene]-2-methyl-1,3-dioxane-4,6-dione IUPAC Name: 2-tert-butyl-5-[(4-hydroxy-3,5-dinitrophenyl)methylidene]-2-methyl-1,3-dioxane-4,6-dione Traditional Name: 2-tert-butyl-5-(4-hydroxy-3,5-dinitro-benzylidene)-2-methyl-1,3-dioxane-4,6-quinone Formula: C16H16N2O9 MolecularWeight: 380.30624

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(OC(=O)C(=CC2=CC(=C(C(=C2)[N+](=O)[O-])O)[N+](=O)[O-])C(=O)O1)C(C)(C)C

Isomeric SMILES

CC1(OC(=O)C(=CC2=CC(=C(C(=C2)[N+](=O)[O-])O)[N+](=O)[O-])C(=O)O1)C(C)(C)C

InChI

InChI=1S/C16H16N2O9/c1-15(2,3)16(4)26-13(20)9(14(21)27-16)5-8-6-10(17(22)23)12(19)11(7-8)18(24)25/h5-7,19H,1-4H3