2-methylbutan-2-yl 2,4-dinitrobenzoate

Systemtic Name: 2-methylbutan-2-yl 2,4-dinitrobenzoate Openeye Name: 1,1-dimethylpropyl 2,4-dinitrobenzoate CAS Name: 2,4-dinitrobenzoic acid 2-methylbutan-2-yl ester IUPAC Name: 2-methylbutan-2-yl 2,4-dinitrobenzoate Traditional Name: 2,4-dinitrobenzoic acid tert-amyl ester Formula: C12H14N2O6 MolecularWeight: 282.24936

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)OC(=O)C1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCC(C)(C)OC(=O)C1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C12H14N2O6/c1-4-12(2,3)20-11(15)9-6-5-8(13(16)17)7-10(9)14(18)19/h5-7H,4H2,1-3H3