5-bromanyl-4-tert-butyl-2,3-dinitro-benzoate

Systemtic Name: 5-bromanyl-4-tert-butyl-2,3-dinitro-benzoate Openeye Name: 5-bromo-4-tert-butyl-2,3-dinitro-benzoate CAS Name: 5-bromo-4-tert-butyl-2,3-dinitrobenzoate IUPAC Name: 5-bromo-4-tert-butyl-2,3-dinitrobenzoate Traditional Name: 5-bromo-4-tert-butyl-2,3-dinitro-benzoate Formula: C11H10BrN2O6- MolecularWeight: 346.1109

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H11BrN2O6/c1-11(2,3)7-6(12)4-5(10(15)16)8(13(17)18)9(7)14(19)20/h4H,1-3H3,(H,15,16)/p-1