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

Systemtic Name: 2-tert-butyl-2-methyl-5-[(3-nitrophenyl)methylidene]-1,3-dioxane-4,6-dione Openeye Name: 2-tert-butyl-2-methyl-5-[(3-nitrophenyl)methylene]-1,3-dioxane-4,6-dione CAS Name: 2-tert-butyl-2-methyl-5-[(3-nitrophenyl)methylidene]-1,3-dioxane-4,6-dione IUPAC Name: 2-tert-butyl-2-methyl-5-[(3-nitrophenyl)methylidene]-1,3-dioxane-4,6-dione Traditional Name: 2-tert-butyl-2-methyl-5-(3-nitrobenzylidene)-1,3-dioxane-4,6-quinone Formula: C16H17NO6 MolecularWeight: 319.30928

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17NO6/c1-15(2,3)16(4)22-13(18)12(14(19)23-16)9-10-6-5-7-11(8-10)17(20)21/h5-9H,1-4H3