4,6-dinitro-1-benzofuran-2-carboxylic acid

Systemtic Name: 4,6-dinitro-1-benzofuran-2-carboxylic acid Openeye Name: 4,6-dinitrobenzofuran-2-carboxylic acid CAS Name: 4,6-dinitro-2-benzofurancarboxylic acid IUPAC Name: 4,6-dinitro-1-benzofuran-2-carboxylic acid Traditional Name: 4,6-dinitrocoumarilic acid Formula: C9H4N2O7 MolecularWeight: 252.13726

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C2C(=C1[N+](=O)[O-])C=C(O2)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1=C(C=C2C(=C1[N+](=O)[O-])C=C(O2)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C9H4N2O7/c12-9(13)8-3-5-6(11(16)17)1-4(10(14)15)2-7(5)18-8/h1-3H,(H,12,13)