2,2-dimethyl-5-[(4-morpholin-4-yl-3-nitro-phenyl)methylidene]-1,3-dioxane-4,6-dione

Systemtic Name: 2,2-dimethyl-5-[(4-morpholin-4-yl-3-nitro-phenyl)methylidene]-1,3-dioxane-4,6-dione Openeye Name: 2,2-dimethyl-5-[(4-morpholino-3-nitro-phenyl)methylene]-1,3-dioxane-4,6-dione CAS Name: 2,2-dimethyl-5-[[4-(4-morpholinyl)-3-nitrophenyl]methylidene]-1,3-dioxane-4,6-dione IUPAC Name: 2,2-dimethyl-5-[(4-morpholin-4-yl-3-nitrophenyl)methylidene]-1,3-dioxane-4,6-dione Traditional Name: 2,2-dimethyl-5-(4-morpholino-3-nitro-benzylidene)-1,3-dioxane-4,6-quinone Formula: C17H18N2O7 MolecularWeight: 362.33402

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Descriptors Computed from Structure

Canonical SMILES:

CC1(OC(=O)C(=CC2=CC(=C(C=C2)N3CCOCC3)[N+](=O)[O-])C(=O)O1)C

Isomeric SMILES

CC1(OC(=O)C(=CC2=CC(=C(C=C2)N3CCOCC3)[N+](=O)[O-])C(=O)O1)C

InChI

InChI=1S/C17H18N2O7/c1-17(2)25-15(20)12(16(21)26-17)9-11-3-4-13(14(10-11)19(22)23)18-5-7-24-8-6-18/h3-4,9-10H,5-8H2,1-2H3