(2-bromanyl-4-tert-butyl-phenyl) 3,5-dinitrobenzoate

Systemtic Name: (2-bromanyl-4-tert-butyl-phenyl) 3,5-dinitrobenzoate Openeye Name: (2-bromo-4-tert-butyl-phenyl) 3,5-dinitrobenzoate CAS Name: 3,5-dinitrobenzoic acid (2-bromo-4-tert-butylphenyl) ester IUPAC Name: (2-bromo-4-tert-butylphenyl) 3,5-dinitrobenzoate Traditional Name: 3,5-dinitrobenzoic acid (2-bromo-4-tert-butyl-phenyl) ester Formula: C17H15BrN2O6 MolecularWeight: 423.2148

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C(C=C1)OC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])Br

Isomeric SMILES

CC(C)(C)C1=CC(=C(C=C1)OC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])Br

InChI

InChI=1S/C17H15BrN2O6/c1-17(2,3)11-4-5-15(14(18)8-11)26-16(21)10-6-12(19(22)23)9-13(7-10)20(24)25/h4-9H,1-3H3