5-nitro-4-oxidanyl-1-benzofuran-2-carboxylic acid

Systemtic Name: 5-nitro-4-oxidanyl-1-benzofuran-2-carboxylic acid Openeye Name: 4-hydroxy-5-nitro-benzofuran-2-carboxylic acid CAS Name: 4-hydroxy-5-nitro-2-benzofurancarboxylic acid IUPAC Name: 4-hydroxy-5-nitro-1-benzofuran-2-carboxylic acid Traditional Name: 4-hydroxy-5-nitro-coumarilic acid Formula: C9H5NO6 MolecularWeight: 223.1391

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C(O2)C(=O)O)C(=C1[N+](=O)[O-])O

Isomeric SMILES

C1=CC2=C(C=C(O2)C(=O)O)C(=C1[N+](=O)[O-])O

InChI

InChI=1S/C9H5NO6/c11-8-4-3-7(9(12)13)16-6(4)2-1-5(8)10(14)15/h1-3,11H,(H,12,13)