methyl 4,4-dinitro-2-oxidanyl-butanoate

Systemtic Name: methyl 4,4-dinitro-2-oxidanyl-butanoate Openeye Name: methyl 2-hydroxy-4,4-dinitro-butanoate CAS Name: 2-hydroxy-4,4-dinitrobutanoic acid methyl ester IUPAC Name: methyl 2-hydroxy-4,4-dinitrobutanoate Traditional Name: 2-hydroxy-4,4-dinitro-butyric acid methyl ester Formula: C5H8N2O7 MolecularWeight: 208.12622

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C5H8N2O7/c1-14-5(9)3(8)2-4(6(10)11)7(12)13/h3-4,8H,2H2,1H3