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

Systemtic Name: 2-tert-butyl-2-methyl-5-[[5-(4-methyl-3-nitro-phenyl)furan-2-yl]methylidene]-1,3-dioxane-4,6-dione Openeye Name: 2-tert-butyl-2-methyl-5-[[5-(4-methyl-3-nitro-phenyl)-2-furyl]methylene]-1,3-dioxane-4,6-dione CAS Name: 2-tert-butyl-2-methyl-5-[[5-(4-methyl-3-nitrophenyl)-2-furanyl]methylidene]-1,3-dioxane-4,6-dione IUPAC Name: 2-tert-butyl-2-methyl-5-[[5-(4-methyl-3-nitrophenyl)furan-2-yl]methylidene]-1,3-dioxane-4,6-dione Traditional Name: 2-tert-butyl-2-methyl-5-[[5-(4-methyl-3-nitro-phenyl)-2-furyl]methylene]-1,3-dioxane-4,6-quinone Formula: C21H21NO7 MolecularWeight: 399.39394

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=CC=C(O2)C=C3C(=O)OC(OC3=O)(C)C(C)(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C2=CC=C(O2)C=C3C(=O)OC(OC3=O)(C)C(C)(C)C)[N+](=O)[O-]

InChI

InChI=1S/C21H21NO7/c1-12-6-7-13(10-16(12)22(25)26)17-9-8-14(27-17)11-15-18(23)28-21(5,20(2,3)4)29-19(15)24/h6-11H,1-5H3