2-carboxy-3,5-dinitro-benzoate; pyridin-1-ium

Systemtic Name: 2-carboxy-3,5-dinitro-benzoate; pyridin-1-ium Openeye Name: 2-carboxy-3,5-dinitro-benzoate; pyridin-1-ium CAS Name: 2-carboxy-3,5-dinitrobenzoate; pyridin-1-ium IUPAC Name: 2-carboxy-3,5-dinitrobenzoate; pyridin-1-ium Traditional Name: 2-carboxy-3,5-dinitro-benzoate; pyridin-1-ium Formula: C13H9N3O8 MolecularWeight: 335.22586

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[NH+]C=C1.C1=C(C=C(C(=C1[N+](=O)[O-])C(=O)O)C(=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC=[NH+]C=C1.C1=C(C=C(C(=C1[N+](=O)[O-])C(=O)O)C(=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C8H4N2O8.C5H5N/c11-7(12)4-1-3(9(15)16)2-5(10(17)18)6(4)8(13)14;1-2-4-6-5-3-1/h1-2H,(H,11,12)(H,13,14);1-5H