2,2-dinitropropyl ethanoate

Systemtic Name: 2,2-dinitropropyl ethanoate Openeye Name: 2,2-dinitropropyl acetate CAS Name: acetic acid 2,2-dinitropropyl ester IUPAC Name: 2,2-dinitropropyl acetate Traditional Name: acetic acid 2,2-dinitropropyl ester Formula: C5H8N2O6 MolecularWeight: 192.12682

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC(C)([N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC(=O)OCC(C)([N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C5H8N2O6/c1-4(8)13-3-5(2,6(9)10)7(11)12/h3H2,1-2H3