(4-chloranyl-3,5-dinitro-phenyl) butanoate

Systemtic Name: (4-chloranyl-3,5-dinitro-phenyl) butanoate Openeye Name: (4-chloro-3,5-dinitro-phenyl) butanoate CAS Name: butanoic acid (4-chloro-3,5-dinitrophenyl) ester IUPAC Name: (4-chloro-3,5-dinitrophenyl) butanoate Traditional Name: butyric acid (4-chloro-3,5-dinitro-phenyl) ester Formula: C10H9ClN2O6 MolecularWeight: 288.64126

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)OC1=CC(=C(C(=C1)[N+](=O)[O-])Cl)[N+](=O)[O-]

Isomeric SMILES

CCCC(=O)OC1=CC(=C(C(=C1)[N+](=O)[O-])Cl)[N+](=O)[O-]

InChI

InChI=1S/C10H9ClN2O6/c1-2-3-9(14)19-6-4-7(12(15)16)10(11)8(5-6)13(17)18/h4-5H,2-3H2,1H3