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

Systemtic Name: 2-tert-butyl-2-methyl-5-[(3-nitro-4-oxidanyl-phenyl)methylidene]-1,3-dioxane-4,6-dione Openeye Name: 2-tert-butyl-5-[(4-hydroxy-3-nitro-phenyl)methylene]-2-methyl-1,3-dioxane-4,6-dione CAS Name: 2-tert-butyl-5-[(4-hydroxy-3-nitrophenyl)methylidene]-2-methyl-1,3-dioxane-4,6-dione IUPAC Name: 2-tert-butyl-5-[(4-hydroxy-3-nitrophenyl)methylidene]-2-methyl-1,3-dioxane-4,6-dione Traditional Name: 2-tert-butyl-5-(4-hydroxy-3-nitro-benzylidene)-2-methyl-1,3-dioxane-4,6-quinone Formula: C16H17NO7 MolecularWeight: 335.30868

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17NO7/c1-15(2,3)16(4)23-13(19)10(14(20)24-16)7-9-5-6-12(18)11(8-9)17(21)22/h5-8,18H,1-4H3