[1-acetyloxy-2-(6-nitro-1,3-benzodioxol-5-yl)ethyl] ethanoate

Systemtic Name: [1-acetyloxy-2-(6-nitro-1,3-benzodioxol-5-yl)ethyl] ethanoate Openeye Name: [1-acetoxy-2-(6-nitro-1,3-benzodioxol-5-yl)ethyl] acetate CAS Name: acetic acid [1-acetyloxy-2-(6-nitro-1,3-benzodioxol-5-yl)ethyl] ester IUPAC Name: [1-acetyloxy-2-(6-nitro-1,3-benzodioxol-5-yl)ethyl] acetate Traditional Name: acetic acid [1-acetoxy-2-(6-nitro-1,3-benzodioxol-5-yl)ethyl] ester Formula: C13H13NO8 MolecularWeight: 311.24422

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC(CC1=CC2=C(C=C1[N+](=O)[O-])OCO2)OC(=O)C

Isomeric SMILES

CC(=O)OC(CC1=CC2=C(C=C1[N+](=O)[O-])OCO2)OC(=O)C

InChI

InChI=1S/C13H13NO8/c1-7(15)21-13(22-8(2)16)4-9-3-11-12(20-6-19-11)5-10(9)14(17)18/h3,5,13H,4,6H2,1-2H3