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

Systemtic Name: 5-ethyl-5-nitro-2-[(E)-prop-1-enyl]-1,3-dioxane Openeye Name: 5-ethyl-5-nitro-2-[(E)-prop-1-enyl]-1,3-dioxane CAS Name: 5-ethyl-5-nitro-2-[(E)-prop-1-enyl]-1,3-dioxane IUPAC Name: 5-ethyl-5-nitro-2-[(E)-prop-1-enyl]-1,3-dioxane Traditional Name: 5-ethyl-5-nitro-2-[(E)-prop-1-enyl]-1,3-dioxane Formula: C9H15NO4 MolecularWeight: 201.2197

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H15NO4/c1-3-5-8-13-6-9(4-2,7-14-8)10(11)12/h3,5,8H,4,6-7H2,1-2H3/b5-3+