5-[[(3,5-dinitro-2-oxidanyl-phenyl)amino]methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione

Systemtic Name: 5-[[(3,5-dinitro-2-oxidanyl-phenyl)amino]methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione Openeye Name: 5-[(2-hydroxy-3,5-dinitro-anilino)methylene]-2,2-dimethyl-1,3-dioxane-4,6-dione CAS Name: 5-[(2-hydroxy-3,5-dinitroanilino)methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione IUPAC Name: 5-[(2-hydroxy-3,5-dinitroanilino)methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione Traditional Name: 5-[(2-hydroxy-3,5-dinitro-anilino)methylene]-2,2-dimethyl-1,3-dioxane-4,6-quinone Formula: C13H11N3O9 MolecularWeight: 353.24114

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Descriptors Computed from Structure

Canonical SMILES:

CC1(OC(=O)C(=CNC2=CC(=CC(=C2O)[N+](=O)[O-])[N+](=O)[O-])C(=O)O1)C

Isomeric SMILES

CC1(OC(=O)C(=CNC2=CC(=CC(=C2O)[N+](=O)[O-])[N+](=O)[O-])C(=O)O1)C

InChI

InChI=1S/C13H11N3O9/c1-13(2)24-11(18)7(12(19)25-13)5-14-8-3-6(15(20)21)4-9(10(8)17)16(22)23/h3-5,14,17H,1-2H3