methyl 2,2-dinitrobutanoate

Systemtic Name: methyl 2,2-dinitrobutanoate Openeye Name: methyl 2,2-dinitrobutanoate CAS Name: 2,2-dinitrobutanoic acid methyl ester IUPAC Name: methyl 2,2-dinitrobutanoate Traditional Name: 2,2-dinitrobutyric acid methyl ester Formula: C5H8N2O6 MolecularWeight: 192.12682

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)OC)([N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCC(C(=O)OC)([N+](=O)[O-])[N+](=O)[O-]

InChI

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