5-[(4-nitro-1H-pyrrol-2-yl)carbonylamino]-2-oxidanyl-benzoate

Systemtic Name: 5-[(4-nitro-1H-pyrrol-2-yl)carbonylamino]-2-oxidanyl-benzoate Openeye Name: 2-hydroxy-5-[(4-nitro-1H-pyrrole-2-carbonyl)amino]benzoate CAS Name: 2-hydroxy-5-[[(4-nitro-1H-pyrrol-2-yl)-oxomethyl]amino]benzoate IUPAC Name: 2-hydroxy-5-[(4-nitro-1H-pyrrole-2-carbonyl)amino]benzoate Traditional Name: 2-hydroxy-5-[(4-nitro-1H-pyrrole-2-carbonyl)amino]benzoate Formula: C12H8N3O6- MolecularWeight: 290.20842

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H9N3O6/c16-10-2-1-6(3-8(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)/p-1