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

Systemtic Name: 2-butyl-5-[(3-methoxy-5-nitro-4-oxidanyl-phenyl)methylidene]-2-methyl-1,3-dioxane-4,6-dione Openeye Name: 2-butyl-5-[(4-hydroxy-3-methoxy-5-nitro-phenyl)methylene]-2-methyl-1,3-dioxane-4,6-dione CAS Name: 2-butyl-5-[(4-hydroxy-3-methoxy-5-nitrophenyl)methylidene]-2-methyl-1,3-dioxane-4,6-dione IUPAC Name: 2-butyl-5-[(4-hydroxy-3-methoxy-5-nitrophenyl)methylidene]-2-methyl-1,3-dioxane-4,6-dione Traditional Name: 2-butyl-5-(4-hydroxy-3-methoxy-5-nitro-benzylidene)-2-methyl-1,3-dioxane-4,6-quinone Formula: C17H19NO8 MolecularWeight: 365.33466

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19NO8/c1-4-5-6-17(2)25-15(20)11(16(21)26-17)7-10-8-12(18(22)23)14(19)13(9-10)24-3/h7-9,19H,4-6H2,1-3H3