(2-methyl-4,6-dinitro-phenyl) butanoate

Systemtic Name: (2-methyl-4,6-dinitro-phenyl) butanoate Openeye Name: (2-methyl-4,6-dinitro-phenyl) butanoate CAS Name: butanoic acid (2-methyl-4,6-dinitrophenyl) ester IUPAC Name: (2-methyl-4,6-dinitrophenyl) butanoate Traditional Name: butyric acid (2-methyl-4,6-dinitro-phenyl) ester Formula: C11H12N2O6 MolecularWeight: 268.22278

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)OC1=C(C=C(C=C1C)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCCC(=O)OC1=C(C=C(C=C1C)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C11H12N2O6/c1-3-4-10(14)19-11-7(2)5-8(12(15)16)6-9(11)13(17)18/h5-6H,3-4H2,1-2H3