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

Systemtic Name: 2-butyl-5-[[3-ethoxy-4-[(4-nitrophenyl)methoxy]phenyl]methylidene]-2-methyl-1,3-dioxane-4,6-dione Openeye Name: 2-butyl-5-[[3-ethoxy-4-[(4-nitrophenyl)methoxy]phenyl]methylene]-2-methyl-1,3-dioxane-4,6-dione CAS Name: 2-butyl-5-[[3-ethoxy-4-[(4-nitrophenyl)methoxy]phenyl]methylidene]-2-methyl-1,3-dioxane-4,6-dione IUPAC Name: 2-butyl-5-[[3-ethoxy-4-[(4-nitrophenyl)methoxy]phenyl]methylidene]-2-methyl-1,3-dioxane-4,6-dione Traditional Name: 2-butyl-5-[3-ethoxy-4-(4-nitrobenzyl)oxy-benzylidene]-2-methyl-1,3-dioxane-4,6-quinone Formula: C25H27NO8 MolecularWeight: 469.48378

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1(OC(=O)C(=CC2=CC(=C(C=C2)OCC3=CC=C(C=C3)[N+](=O)[O-])OCC)C(=O)O1)C

Isomeric SMILES

CCCCC1(OC(=O)C(=CC2=CC(=C(C=C2)OCC3=CC=C(C=C3)[N+](=O)[O-])OCC)C(=O)O1)C

InChI

InChI=1S/C25H27NO8/c1-4-6-13-25(3)33-23(27)20(24(28)34-25)14-18-9-12-21(22(15-18)31-5-2)32-16-17-7-10-19(11-8-17)26(29)30/h7-12,14-15H,4-6,13,16H2,1-3H3