4-[(4-nitro-1H-pyrrol-2-yl)carbonylamino]-2-oxidanyl-benzoic acid

Systemtic Name: 4-[(4-nitro-1H-pyrrol-2-yl)carbonylamino]-2-oxidanyl-benzoic acid Openeye Name: 2-hydroxy-4-[(4-nitro-1H-pyrrole-2-carbonyl)amino]benzoic acid CAS Name: 2-hydroxy-4-[[(4-nitro-1H-pyrrol-2-yl)-oxomethyl]amino]benzoic acid IUPAC Name: 2-hydroxy-4-[(4-nitro-1H-pyrrole-2-carbonyl)amino]benzoic acid Traditional Name: 2-hydroxy-4-[(4-nitro-1H-pyrrole-2-carbonyl)amino]benzoic acid Formula: C12H9N3O6 MolecularWeight: 291.21636

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1NC(=O)C2=CC(=CN2)[N+](=O)[O-])O)C(=O)O

Isomeric SMILES

C1=CC(=C(C=C1NC(=O)C2=CC(=CN2)[N+](=O)[O-])O)C(=O)O

InChI

InChI=1S/C12H9N3O6/c16-10-3-6(1-2-8(10)12(18)19)14-11(17)9-4-7(5-13-9)15(20)21/h1-5,13,16H,(H,14,17)(H,18,19)