(6-nitro-3-oxidanyl-hexan-2-yl) ethanoate

Systemtic Name: (6-nitro-3-oxidanyl-hexan-2-yl) ethanoate Openeye Name: (2-hydroxy-1-methyl-5-nitro-pentyl) acetate CAS Name: acetic acid (3-hydroxy-6-nitrohexan-2-yl) ester IUPAC Name: (3-hydroxy-6-nitrohexan-2-yl) acetate Traditional Name: acetic acid (2-hydroxy-1-methyl-5-nitro-pentyl) ester Formula: C8H15NO5 MolecularWeight: 205.2084

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(CCC[N+](=O)[O-])O)OC(=O)C

Isomeric SMILES

CC(C(CCC[N+](=O)[O-])O)OC(=O)C

InChI

InChI=1S/C8H15NO5/c1-6(14-7(2)10)8(11)4-3-5-9(12)13/h6,8,11H,3-5H2,1-2H3