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

Systemtic Name: 2-tert-butyl-2-methyl-5-[(6-nitro-1,3-benzodioxol-5-yl)methylidene]-1,3-dioxane-4,6-dione Openeye Name: 2-tert-butyl-2-methyl-5-[(6-nitro-1,3-benzodioxol-5-yl)methylene]-1,3-dioxane-4,6-dione CAS Name: 2-tert-butyl-2-methyl-5-[(6-nitro-1,3-benzodioxol-5-yl)methylidene]-1,3-dioxane-4,6-dione IUPAC Name: 2-tert-butyl-2-methyl-5-[(6-nitro-1,3-benzodioxol-5-yl)methylidene]-1,3-dioxane-4,6-dione Traditional Name: 2-tert-butyl-2-methyl-5-[(6-nitro-1,3-benzodioxol-5-yl)methylene]-1,3-dioxane-4,6-quinone Formula: C17H17NO8 MolecularWeight: 363.31878

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Descriptors Computed from Structure

Canonical SMILES:

CC1(OC(=O)C(=CC2=CC3=C(C=C2[N+](=O)[O-])OCO3)C(=O)O1)C(C)(C)C

Isomeric SMILES

CC1(OC(=O)C(=CC2=CC3=C(C=C2[N+](=O)[O-])OCO3)C(=O)O1)C(C)(C)C

InChI

InChI=1S/C17H17NO8/c1-16(2,3)17(4)25-14(19)10(15(20)26-17)5-9-6-12-13(24-8-23-12)7-11(9)18(21)22/h5-7H,8H2,1-4H3