3-ethyl-6-nitro-5-prop-2-enyl-2,3-dihydro-1,4-benzodioxine

Systemtic Name: 3-ethyl-6-nitro-5-prop-2-enyl-2,3-dihydro-1,4-benzodioxine Openeye Name: 5-allyl-3-ethyl-6-nitro-2,3-dihydro-1,4-benzodioxine CAS Name: 3-ethyl-6-nitro-5-prop-2-enyl-2,3-dihydro-1,4-benzodioxin IUPAC Name: 3-ethyl-6-nitro-5-prop-2-enyl-2,3-dihydro-1,4-benzodioxine Traditional Name: 5-allyl-3-ethyl-6-nitro-2,3-dihydro-1,4-benzodioxin Formula: C13H15NO4 MolecularWeight: 249.2625

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Descriptors Computed from Structure

Canonical SMILES:

CCC1COC2=C(O1)C(=C(C=C2)[N+](=O)[O-])CC=C

Isomeric SMILES

CCC1COC2=C(O1)C(=C(C=C2)[N+](=O)[O-])CC=C

InChI

InChI=1S/C13H15NO4/c1-3-5-10-11(14(15)16)6-7-12-13(10)18-9(4-2)8-17-12/h3,6-7,9H,1,4-5,8H2,2H3