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

Systemtic Name: 5-methyl-5-nitro-2-(1-phenylethyl)-1,3-dioxane Openeye Name: 5-methyl-5-nitro-2-(1-phenylethyl)-1,3-dioxane CAS Name: 5-methyl-5-nitro-2-(1-phenylethyl)-1,3-dioxane IUPAC Name: 5-methyl-5-nitro-2-(1-phenylethyl)-1,3-dioxane Traditional Name: 5-methyl-5-nitro-2-(1-phenylethyl)-1,3-dioxane Formula: C13H17NO4 MolecularWeight: 251.27838

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1OCC(CO1)(C)[N+](=O)[O-])C2=CC=CC=C2

Isomeric SMILES

CC(C1OCC(CO1)(C)[N+](=O)[O-])C2=CC=CC=C2

InChI

InChI=1S/C13H17NO4/c1-10(11-6-4-3-5-7-11)12-17-8-13(2,9-18-12)14(15)16/h3-7,10,12H,8-9H2,1-2H3