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

Systemtic Name: 2-butyl-2-methyl-5-[(5-nitro-2-oxidanyl-phenyl)methylidene]-1,3-dioxane-4,6-dione Openeye Name: 2-butyl-5-[(2-hydroxy-5-nitro-phenyl)methylene]-2-methyl-1,3-dioxane-4,6-dione CAS Name: 2-butyl-5-[(2-hydroxy-5-nitrophenyl)methylidene]-2-methyl-1,3-dioxane-4,6-dione IUPAC Name: 2-butyl-5-[(2-hydroxy-5-nitrophenyl)methylidene]-2-methyl-1,3-dioxane-4,6-dione Traditional Name: 2-butyl-5-(2-hydroxy-5-nitro-benzylidene)-2-methyl-1,3-dioxane-4,6-quinone Formula: C16H17NO7 MolecularWeight: 335.30868

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1(OC(=O)C(=CC2=C(C=CC(=C2)[N+](=O)[O-])O)C(=O)O1)C

Isomeric SMILES

CCCCC1(OC(=O)C(=CC2=C(C=CC(=C2)[N+](=O)[O-])O)C(=O)O1)C

InChI

InChI=1S/C16H17NO7/c1-3-4-7-16(2)23-14(19)12(15(20)24-16)9-10-8-11(17(21)22)5-6-13(10)18/h5-6,8-9,18H,3-4,7H2,1-2H3