2,2-dimethyl-5-[(3-nitrophenyl)methyl]-1,3-dioxane-4,6-dione

Systemtic Name: 2,2-dimethyl-5-[(3-nitrophenyl)methyl]-1,3-dioxane-4,6-dione Openeye Name: 2,2-dimethyl-5-[(3-nitrophenyl)methyl]-1,3-dioxane-4,6-dione CAS Name: 2,2-dimethyl-5-[(3-nitrophenyl)methyl]-1,3-dioxane-4,6-dione IUPAC Name: 2,2-dimethyl-5-[(3-nitrophenyl)methyl]-1,3-dioxane-4,6-dione Traditional Name: 2,2-dimethyl-5-(3-nitrobenzyl)-1,3-dioxane-4,6-quinone Formula: C13H13NO6 MolecularWeight: 279.24542

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13NO6/c1-13(2)19-11(15)10(12(16)20-13)7-8-4-3-5-9(6-8)14(17)18/h3-6,10H,7H2,1-2H3