4-chloranyl-4,4-dinitro-butanoate

Systemtic Name: 4-chloranyl-4,4-dinitro-butanoate Openeye Name: 4-chloro-4,4-dinitro-butanoate CAS Name: 4-chloro-4,4-dinitrobutanoate IUPAC Name: 4-chloro-4,4-dinitrobutanoate Traditional Name: 4-chloro-4,4-dinitro-butyrate Formula: C4H4ClN2O6- MolecularWeight: 211.53736

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C4H5ClN2O6/c5-4(6(10)11,7(12)13)2-1-3(8)9/h1-2H2,(H,8,9)/p-1