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

Systemtic Name: 2-butyl-2-methyl-5-[[4-[(4-nitrophenyl)methoxy]phenyl]methylidene]-1,3-dioxane-4,6-dione Openeye Name: 2-butyl-2-methyl-5-[[4-[(4-nitrophenyl)methoxy]phenyl]methylene]-1,3-dioxane-4,6-dione CAS Name: 2-butyl-2-methyl-5-[[4-[(4-nitrophenyl)methoxy]phenyl]methylidene]-1,3-dioxane-4,6-dione IUPAC Name: 2-butyl-2-methyl-5-[[4-[(4-nitrophenyl)methoxy]phenyl]methylidene]-1,3-dioxane-4,6-dione Traditional Name: 2-butyl-2-methyl-5-[4-(4-nitrobenzyl)oxybenzylidene]-1,3-dioxane-4,6-quinone Formula: C23H23NO7 MolecularWeight: 425.43122

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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-])C(=O)O1)C

Isomeric SMILES

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

InChI

InChI=1S/C23H23NO7/c1-3-4-13-23(2)30-21(25)20(22(26)31-23)14-16-7-11-19(12-8-16)29-15-17-5-9-18(10-6-17)24(27)28/h5-12,14H,3-4,13,15H2,1-2H3