5-nitrohexan-2-yl ethanoate

Systemtic Name: 5-nitrohexan-2-yl ethanoate Openeye Name: (1-methyl-4-nitro-pentyl) acetate CAS Name: acetic acid 5-nitrohexan-2-yl ester IUPAC Name: 5-nitrohexan-2-yl acetate Traditional Name: acetic acid (1-methyl-4-nitro-pentyl) ester Formula: C8H15NO4 MolecularWeight: 189.209

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H15NO4/c1-6(9(11)12)4-5-7(2)13-8(3)10/h6-7H,4-5H2,1-3H3