methyl 3,3-dinitropropanoate

Systemtic Name: methyl 3,3-dinitropropanoate Openeye Name: methyl 3,3-dinitropropanoate CAS Name: 3,3-dinitropropanoic acid methyl ester IUPAC Name: methyl 3,3-dinitropropanoate Traditional Name: 3,3-dinitropropionic acid methyl ester Formula: C4H6N2O6 MolecularWeight: 178.10024

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC([N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

COC(=O)CC([N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C4H6N2O6/c1-12-4(7)2-3(5(8)9)6(10)11/h3H,2H2,1H3