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

Systemtic Name: 2,2-dimethyl-5-[[5-(4-morpholin-4-yl-3-nitro-phenyl)furan-2-yl]methylidene]-1,3-dioxane-4,6-dione Openeye Name: 2,2-dimethyl-5-[[5-(4-morpholino-3-nitro-phenyl)-2-furyl]methylene]-1,3-dioxane-4,6-dione CAS Name: 2,2-dimethyl-5-[[5-[4-(4-morpholinyl)-3-nitrophenyl]-2-furanyl]methylidene]-1,3-dioxane-4,6-dione IUPAC Name: 2,2-dimethyl-5-[[5-(4-morpholin-4-yl-3-nitrophenyl)furan-2-yl]methylidene]-1,3-dioxane-4,6-dione Traditional Name: 2,2-dimethyl-5-[[5-(4-morpholino-3-nitro-phenyl)-2-furyl]methylene]-1,3-dioxane-4,6-quinone Formula: C21H20N2O8 MolecularWeight: 428.3921

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Descriptors Computed from Structure

Canonical SMILES:

CC1(OC(=O)C(=CC2=CC=C(O2)C3=CC(=C(C=C3)N4CCOCC4)[N+](=O)[O-])C(=O)O1)C

Isomeric SMILES

CC1(OC(=O)C(=CC2=CC=C(O2)C3=CC(=C(C=C3)N4CCOCC4)[N+](=O)[O-])C(=O)O1)C

InChI

InChI=1S/C21H20N2O8/c1-21(2)30-19(24)15(20(25)31-21)12-14-4-6-18(29-14)13-3-5-16(17(11-13)23(26)27)22-7-9-28-10-8-22/h3-6,11-12H,7-10H2,1-2H3