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

Systemtic Name: 5-[(5-bromanyl-3-nitro-2-oxidanyl-phenyl)methylidene]-2-tert-butyl-2-methyl-1,3-dioxane-4,6-dione Openeye Name: 5-[(5-bromo-2-hydroxy-3-nitro-phenyl)methylene]-2-tert-butyl-2-methyl-1,3-dioxane-4,6-dione CAS Name: 5-[(5-bromo-2-hydroxy-3-nitrophenyl)methylidene]-2-tert-butyl-2-methyl-1,3-dioxane-4,6-dione IUPAC Name: 5-[(5-bromo-2-hydroxy-3-nitrophenyl)methylidene]-2-tert-butyl-2-methyl-1,3-dioxane-4,6-dione Traditional Name: 5-(5-bromo-2-hydroxy-3-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(=CC(=C2O)[N+](=O)[O-])Br)C(=O)O1)C(C)(C)C

Isomeric SMILES

CC1(OC(=O)C(=CC2=CC(=CC(=C2O)[N+](=O)[O-])Br)C(=O)O1)C(C)(C)C

InChI

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