1-(5,6-dinitro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl ethanoate

Systemtic Name: 1-(5,6-dinitro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl ethanoate Openeye Name: 1-(5,6-dinitro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl acetate CAS Name: acetic acid 1-(5,6-dinitro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl ester IUPAC Name: 1-(5,6-dinitro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl acetate Traditional Name: acetic acid 1-(5,6-dinitro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl ester Formula: C12H12N2O8 MolecularWeight: 312.23228

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC2=C(C(=C1[N+](=O)[O-])[N+](=O)[O-])OCCO2)OC(=O)C

Isomeric SMILES

CC(C1=CC2=C(C(=C1[N+](=O)[O-])[N+](=O)[O-])OCCO2)OC(=O)C

InChI

InChI=1S/C12H12N2O8/c1-6(22-7(2)15)8-5-9-12(21-4-3-20-9)11(14(18)19)10(8)13(16)17/h5-6H,3-4H2,1-2H3