5-nitrobenzene-1,3-dicarboxylic acid

Systemtic Name: 5-nitrobenzene-1,3-dicarboxylic acid Openeye Name: 5-nitrobenzene-1,3-dicarboxylic acid CAS Name: 5-nitrobenzene-1,3-dicarboxylic acid IUPAC Name: 5-nitrobenzene-1,3-dicarboxylic acid Traditional Name: 5-nitroisophthalic acid Formula: C8H5NO6 MolecularWeight: 211.1284

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C=C1C(=O)O)[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1=C(C=C(C=C1C(=O)O)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C8H5NO6/c10-7(11)4-1-5(8(12)13)3-6(2-4)9(14)15/h1-3H,(H,10,11)(H,12,13)