5-methyl-5-nitro-2-(phenylmethyl)-1,3-dioxane

Systemtic Name: 5-methyl-5-nitro-2-(phenylmethyl)-1,3-dioxane Openeye Name: 2-benzyl-5-methyl-5-nitro-1,3-dioxane CAS Name: 5-methyl-5-nitro-2-(phenylmethyl)-1,3-dioxane IUPAC Name: 2-benzyl-5-methyl-5-nitro-1,3-dioxane Traditional Name: 2-benzyl-5-methyl-5-nitro-1,3-dioxane Formula: C12H15NO4 MolecularWeight: 237.2518

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Descriptors Computed from Structure

Canonical SMILES:

CC1(COC(OC1)CC2=CC=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CC1(COC(OC1)CC2=CC=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C12H15NO4/c1-12(13(14)15)8-16-11(17-9-12)7-10-5-3-2-4-6-10/h2-6,11H,7-9H2,1H3