3-(nitromethyl)pentan-3-yl ethanoate

Systemtic Name: 3-(nitromethyl)pentan-3-yl ethanoate Openeye Name: [1-ethyl-1-(nitromethyl)propyl] acetate CAS Name: acetic acid 3-(nitromethyl)pentan-3-yl ester IUPAC Name: 3-(nitromethyl)pentan-3-yl acetate Traditional Name: acetic acid [1-ethyl-1-(nitromethyl)propyl] ester Formula: C8H15NO4 MolecularWeight: 189.209

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H15NO4/c1-4-8(5-2,6-9(11)12)13-7(3)10/h4-6H2,1-3H3