5-(2-nitrohex-5-en-3-yl)-1,3-benzodioxole

Systemtic Name: 5-(2-nitrohex-5-en-3-yl)-1,3-benzodioxole Openeye Name: 5-[1-(1-nitroethyl)but-3-enyl]-1,3-benzodioxole CAS Name: 5-(2-nitrohex-5-en-3-yl)-1,3-benzodioxole IUPAC Name: 5-(2-nitrohex-5-en-3-yl)-1,3-benzodioxole Traditional Name: 5-[1-(1-nitroethyl)but-3-enyl]-1,3-benzodioxole Formula: C13H15NO4 MolecularWeight: 249.2625

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(CC=C)C1=CC2=C(C=C1)OCO2)[N+](=O)[O-]

Isomeric SMILES

CC(C(CC=C)C1=CC2=C(C=C1)OCO2)[N+](=O)[O-]

InChI

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