3-bromanyl-4,5-diethoxy-2,6-dinitro-benzoate

Systemtic Name: 3-bromanyl-4,5-diethoxy-2,6-dinitro-benzoate Openeye Name: 3-bromo-4,5-diethoxy-2,6-dinitro-benzoate CAS Name: 3-bromo-4,5-diethoxy-2,6-dinitrobenzoate IUPAC Name: 3-bromo-4,5-diethoxy-2,6-dinitrobenzoate Traditional Name: 3-bromo-4,5-diethoxy-2,6-dinitro-benzoate Formula: C11H10BrN2O8- MolecularWeight: 378.1097

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=C(C(=C1[N+](=O)[O-])C(=O)[O-])[N+](=O)[O-])Br)OCC

Isomeric SMILES

CCOC1=C(C(=C(C(=C1[N+](=O)[O-])C(=O)[O-])[N+](=O)[O-])Br)OCC

InChI

InChI=1S/C11H11BrN2O8/c1-3-21-9-6(12)7(13(17)18)5(11(15)16)8(14(19)20)10(9)22-4-2/h3-4H2,1-2H3,(H,15,16)/p-1