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

Systemtic Name: 5-methyl-2-(4-methylphenyl)-5-nitro-1,3-dioxane Openeye Name: 5-methyl-5-nitro-2-(p-tolyl)-1,3-dioxane CAS Name: 5-methyl-2-(4-methylphenyl)-5-nitro-1,3-dioxane IUPAC Name: 5-methyl-2-(4-methylphenyl)-5-nitro-1,3-dioxane Traditional Name: 5-methyl-5-nitro-2-(p-tolyl)-1,3-dioxane Formula: C12H15NO4 MolecularWeight: 237.2518

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2OCC(CO2)(C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C2OCC(CO2)(C)[N+](=O)[O-]

InChI

InChI=1S/C12H15NO4/c1-9-3-5-10(6-4-9)11-16-7-12(2,8-17-11)13(14)15/h3-6,11H,7-8H2,1-2H3