methyl 4,4-dinitrobutanoate

Systemtic Name: methyl 4,4-dinitrobutanoate Openeye Name: methyl 4,4-dinitrobutanoate CAS Name: 4,4-dinitrobutanoic acid methyl ester IUPAC Name: methyl 4,4-dinitrobutanoate Traditional Name: 4,4-dinitrobutyric acid methyl ester Formula: C5H8N2O6 MolecularWeight: 192.12682

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C5H8N2O6/c1-13-5(8)3-2-4(6(9)10)7(11)12/h4H,2-3H2,1H3