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

Systemtic Name: 5-[(3-bromanyl-5-nitro-4-oxidanyl-phenyl)methylidene]-2-tert-butyl-2-methyl-1,3-dioxane-4,6-dione Openeye Name: 5-[(3-bromo-4-hydroxy-5-nitro-phenyl)methylene]-2-tert-butyl-2-methyl-1,3-dioxane-4,6-dione CAS Name: 5-[(3-bromo-4-hydroxy-5-nitrophenyl)methylidene]-2-tert-butyl-2-methyl-1,3-dioxane-4,6-dione IUPAC Name: 5-[(3-bromo-4-hydroxy-5-nitrophenyl)methylidene]-2-tert-butyl-2-methyl-1,3-dioxane-4,6-dione Traditional Name: 5-(3-bromo-4-hydroxy-5-nitro-benzylidene)-2-tert-butyl-2-methyl-1,3-dioxane-4,6-quinone Formula: C16H16BrNO7 MolecularWeight: 414.20474

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16BrNO7/c1-15(2,3)16(4)24-13(20)9(14(21)25-16)5-8-6-10(17)12(19)11(7-8)18(22)23/h5-7,19H,1-4H3