(2,4-dinitrophenyl) 3,3-dimethylbutanoate

Systemtic Name: (2,4-dinitrophenyl) 3,3-dimethylbutanoate Openeye Name: (2,4-dinitrophenyl) 3,3-dimethylbutanoate CAS Name: 3,3-dimethylbutanoic acid (2,4-dinitrophenyl) ester IUPAC Name: (2,4-dinitrophenyl) 3,3-dimethylbutanoate Traditional Name: 3,3-dimethylbutyric acid (2,4-dinitrophenyl) ester Formula: C12H14N2O6 MolecularWeight: 282.24936

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14N2O6/c1-12(2,3)7-11(15)20-10-5-4-8(13(16)17)6-9(10)14(18)19/h4-6H,7H2,1-3H3