2-[(3-nitro-4-oxidanylidene-5H-pyrazolo[1,5-a]pyrazin-6-yl)amino]benzoic acid

Systemtic Name: 2-[(3-nitro-4-oxidanylidene-5H-pyrazolo[1,5-a]pyrazin-6-yl)amino]benzoic acid Openeye Name: 2-[(3-nitro-4-oxo-5H-pyrazolo[1,5-a]pyrazin-6-yl)amino]benzoic acid CAS Name: 2-[(3-nitro-4-oxo-5H-pyrazolo[1,5-a]pyrazin-6-yl)amino]benzoic acid IUPAC Name: 2-[(3-nitro-4-oxo-5H-pyrazolo[1,5-a]pyrazin-6-yl)amino]benzoic acid Traditional Name: 2-[(4-keto-3-nitro-5H-pyrazolo[1,5-a]pyrazin-6-yl)amino]benzoic acid Formula: C13H9N5O5 MolecularWeight: 315.24106

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)O)NC2=CN3C(=C(C=N3)[N+](=O)[O-])C(=O)N2

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)O)NC2=CN3C(=C(C=N3)[N+](=O)[O-])C(=O)N2

InChI

InChI=1S/C13H9N5O5/c19-12-11-9(18(22)23)5-14-17(11)6-10(16-12)15-8-4-2-1-3-7(8)13(20)21/h1-6,15H,(H,16,19)(H,20,21)