6-nitrohexan-3-yl ethanoate

Systemtic Name: 6-nitrohexan-3-yl ethanoate Openeye Name: (1-ethyl-4-nitro-butyl) acetate CAS Name: acetic acid 6-nitrohexan-3-yl ester IUPAC Name: 6-nitrohexan-3-yl acetate Traditional Name: acetic acid (1-ethyl-4-nitro-butyl) ester Formula: C8H15NO4 MolecularWeight: 189.209

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H15NO4/c1-3-8(13-7(2)10)5-4-6-9(11)12/h8H,3-6H2,1-2H3