5-methyl-5-nitro-2-(4-propan-2-ylphenyl)-1,3-dioxane

Systemtic Name: 5-methyl-5-nitro-2-(4-propan-2-ylphenyl)-1,3-dioxane Openeye Name: 2-(4-isopropylphenyl)-5-methyl-5-nitro-1,3-dioxane CAS Name: 5-methyl-5-nitro-2-(4-propan-2-ylphenyl)-1,3-dioxane IUPAC Name: 5-methyl-5-nitro-2-(4-propan-2-ylphenyl)-1,3-dioxane Traditional Name: 5-methyl-5-nitro-2-p-cumenyl-1,3-dioxane Formula: C14H19NO4 MolecularWeight: 265.30496

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C2OCC(CO2)(C)[N+](=O)[O-]

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C2OCC(CO2)(C)[N+](=O)[O-]

InChI

InChI=1S/C14H19NO4/c1-10(2)11-4-6-12(7-5-11)13-18-8-14(3,9-19-13)15(16)17/h4-7,10,13H,8-9H2,1-3H3