tert-butyl 3,4-dinitrobenzoate

Systemtic Name: tert-butyl 3,4-dinitrobenzoate Openeye Name: tert-butyl 3,4-dinitrobenzoate CAS Name: 3,4-dinitrobenzoic acid tert-butyl ester IUPAC Name: tert-butyl 3,4-dinitrobenzoate Traditional Name: 3,4-dinitrobenzoic acid tert-butyl ester Formula: C11H12N2O6 MolecularWeight: 268.22278

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H12N2O6/c1-11(2,3)19-10(14)7-4-5-8(12(15)16)9(6-7)13(17)18/h4-6H,1-3H3