4-azanylbenzoic acid; 3,5-dinitro-2-oxidanyl-benzoic acid

Systemtic Name: 4-azanylbenzoic acid; 3,5-dinitro-2-oxidanyl-benzoic acid Openeye Name: 4-aminobenzoic acid; 2-hydroxy-3,5-dinitro-benzoic acid CAS Name: 4-aminobenzoic acid; 2-hydroxy-3,5-dinitrobenzoic acid IUPAC Name: 4-aminobenzoic acid; 2-hydroxy-3,5-dinitrobenzoic acid Traditional Name: 4-aminobenzoic acid; 2-hydroxy-3,5-dinitro-benzoic acid Formula: C14H11N3O9 MolecularWeight: 365.25184

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H4N2O7.C7H7NO2/c10-6-4(7(11)12)1-3(8(13)14)2-5(6)9(15)16;8-6-3-1-5(2-4-6)7(9)10/h1-2,10H,(H,11,12);1-4H,8H2,(H,9,10)