5,5-dimethyl-2-(5-nitrofuran-2-yl)-4-propan-2-yl-1,3-dioxane

Systemtic Name: 5,5-dimethyl-2-(5-nitrofuran-2-yl)-4-propan-2-yl-1,3-dioxane Openeye Name: 4-isopropyl-5,5-dimethyl-2-(5-nitro-2-furyl)-1,3-dioxane CAS Name: 5,5-dimethyl-2-(5-nitro-2-furanyl)-4-propan-2-yl-1,3-dioxane IUPAC Name: 5,5-dimethyl-2-(5-nitrofuran-2-yl)-4-propan-2-yl-1,3-dioxane Traditional Name: 4-isopropyl-5,5-dimethyl-2-(5-nitro-2-furyl)-1,3-dioxane Formula: C13H19NO5 MolecularWeight: 269.29366

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1C(COC(O1)C2=CC=C(O2)[N+](=O)[O-])(C)C

Isomeric SMILES

CC(C)C1C(COC(O1)C2=CC=C(O2)[N+](=O)[O-])(C)C

InChI

InChI=1S/C13H19NO5/c1-8(2)11-13(3,4)7-17-12(19-11)9-5-6-10(18-9)14(15)16/h5-6,8,11-12H,7H2,1-4H3