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

Systemtic Name: 2-butyl-5-[(4-methoxy-3-nitro-phenyl)methylidene]-2-methyl-1,3-dioxane-4,6-dione Openeye Name: 2-butyl-5-[(4-methoxy-3-nitro-phenyl)methylene]-2-methyl-1,3-dioxane-4,6-dione CAS Name: 2-butyl-5-[(4-methoxy-3-nitrophenyl)methylidene]-2-methyl-1,3-dioxane-4,6-dione IUPAC Name: 2-butyl-5-[(4-methoxy-3-nitrophenyl)methylidene]-2-methyl-1,3-dioxane-4,6-dione Traditional Name: 2-butyl-5-(4-methoxy-3-nitro-benzylidene)-2-methyl-1,3-dioxane-4,6-quinone Formula: C17H19NO7 MolecularWeight: 349.33526

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19NO7/c1-4-5-8-17(2)24-15(19)12(16(20)25-17)9-11-6-7-14(23-3)13(10-11)18(21)22/h6-7,9-10H,4-5,8H2,1-3H3