2,2-dimethyl-5-(4-nitrophenyl)carbonyl-1,3-dioxane-4,6-dione

Systemtic Name: 2,2-dimethyl-5-(4-nitrophenyl)carbonyl-1,3-dioxane-4,6-dione Openeye Name: 2,2-dimethyl-5-(4-nitrobenzoyl)-1,3-dioxane-4,6-dione CAS Name: 2,2-dimethyl-5-[(4-nitrophenyl)-oxomethyl]-1,3-dioxane-4,6-dione IUPAC Name: 2,2-dimethyl-5-(4-nitrobenzoyl)-1,3-dioxane-4,6-dione Traditional Name: 2,2-dimethyl-5-(4-nitrobenzoyl)-1,3-dioxane-4,6-quinone Formula: C13H11NO7 MolecularWeight: 293.22894

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H11NO7/c1-13(2)20-11(16)9(12(17)21-13)10(15)7-3-5-8(6-4-7)14(18)19/h3-6,9H,1-2H3