1-nitrohexan-2-yl ethanoate

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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