5-ethyl-5-methyl-2-(4-nitrophenyl)-1,3-dioxane

Systemtic Name: 5-ethyl-5-methyl-2-(4-nitrophenyl)-1,3-dioxane Openeye Name: 5-ethyl-5-methyl-2-(4-nitrophenyl)-1,3-dioxane CAS Name: 5-ethyl-5-methyl-2-(4-nitrophenyl)-1,3-dioxane IUPAC Name: 5-ethyl-5-methyl-2-(4-nitrophenyl)-1,3-dioxane Traditional Name: 5-ethyl-5-methyl-2-(4-nitrophenyl)-1,3-dioxane Formula: C13H17NO4 MolecularWeight: 251.27838

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(COC(OC1)C2=CC=C(C=C2)[N+](=O)[O-])C

Isomeric SMILES

CCC1(COC(OC1)C2=CC=C(C=C2)[N+](=O)[O-])C

InChI

InChI=1S/C13H17NO4/c1-3-13(2)8-17-12(18-9-13)10-4-6-11(7-5-10)14(15)16/h4-7,12H,3,8-9H2,1-2H3