5-nitro-5-[(E)-3-phenylprop-2-enyl]-1,3-dioxane

Systemtic Name: 5-nitro-5-[(E)-3-phenylprop-2-enyl]-1,3-dioxane Openeye Name: 5-[(E)-cinnamyl]-5-nitro-1,3-dioxane CAS Name: 5-nitro-5-[(E)-3-phenylprop-2-enyl]-1,3-dioxane IUPAC Name: 5-nitro-5-[(E)-3-phenylprop-2-enyl]-1,3-dioxane Traditional Name: 5-[(E)-cinnamyl]-5-nitro-1,3-dioxane Formula: C13H15NO4 MolecularWeight: 249.2625

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Descriptors Computed from Structure

Canonical SMILES:

C1C(COCO1)(CC=CC2=CC=CC=C2)[N+](=O)[O-]

Isomeric SMILES

C1C(COCO1)(C/C=C/C2=CC=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C13H15NO4/c15-14(16)13(9-17-11-18-10-13)8-4-7-12-5-2-1-3-6-12/h1-7H,8-11H2/b7-4+