2-nitrohexan-3-yl ethanoate

Systemtic Name: 2-nitrohexan-3-yl ethanoate Openeye Name: 1-(1-nitroethyl)butyl acetate CAS Name: acetic acid 2-nitrohexan-3-yl ester IUPAC Name: 2-nitrohexan-3-yl acetate Traditional Name: acetic acid 1-(1-nitroethyl)butyl ester Formula: C8H15NO4 MolecularWeight: 189.209

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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