2-[4,5-bis(bromanyl)-2,3-dinitro-phenyl]propanedioic acid

Systemtic Name: 2-[4,5-bis(bromanyl)-2,3-dinitro-phenyl]propanedioic acid Openeye Name: 2-(4,5-dibromo-2,3-dinitro-phenyl)propanedioic acid CAS Name: 2-(4,5-dibromo-2,3-dinitrophenyl)propanedioic acid IUPAC Name: 2-(4,5-dibromo-2,3-dinitrophenyl)propanedioic acid Traditional Name: 2-(4,5-dibromo-2,3-dinitro-phenyl)malonic acid Formula: C9H4Br2N2O8 MolecularWeight: 427.94466

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C(=C(C(=C1Br)Br)[N+](=O)[O-])[N+](=O)[O-])C(C(=O)O)C(=O)O

Isomeric SMILES

C1=C(C(=C(C(=C1Br)Br)[N+](=O)[O-])[N+](=O)[O-])C(C(=O)O)C(=O)O

InChI

InChI=1S/C9H4Br2N2O8/c10-3-1-2(4(8(14)15)9(16)17)6(12(18)19)7(5(3)11)13(20)21/h1,4H,(H,14,15)(H,16,17)