methyl 2,2-dinitroethanoate

Systemtic Name: methyl 2,2-dinitroethanoate Openeye Name: methyl 2,2-dinitroacetate CAS Name: 2,2-dinitroacetic acid methyl ester IUPAC Name: methyl 2,2-dinitroacetate Traditional Name: 2,2-dinitroacetic acid methyl ester Formula: C3H4N2O6 MolecularWeight: 164.07366

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C3H4N2O6/c1-11-3(6)2(4(7)8)5(9)10/h2H,1H3