5-ethyl-2-(4-methoxyphenyl)-5-nitro-1,3-dioxane

Systemtic Name: 5-ethyl-2-(4-methoxyphenyl)-5-nitro-1,3-dioxane Openeye Name: 5-ethyl-2-(4-methoxyphenyl)-5-nitro-1,3-dioxane CAS Name: 5-ethyl-2-(4-methoxyphenyl)-5-nitro-1,3-dioxane IUPAC Name: 5-ethyl-2-(4-methoxyphenyl)-5-nitro-1,3-dioxane Traditional Name: 5-ethyl-2-(4-methoxyphenyl)-5-nitro-1,3-dioxane Formula: C13H17NO5 MolecularWeight: 267.27778

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17NO5/c1-3-13(14(15)16)8-18-12(19-9-13)10-4-6-11(17-2)7-5-10/h4-7,12H,3,8-9H2,1-2H3