| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C17H14N4O4/c22-16-7-11(5-6-15(16)21(24)25)9-19-20-17(23)8-12-10-18-14-4-2-1-3-13(12)14/h1-7,9-10,18,22H,8H2,(H,20,23)/b19-9+ |
| InChIKey | InChI | 1.03 | BTUGCKBHIRLBIC-DJKKODMXSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Oc1cc(ccc1[N+]([O-])=O)/C=N/NC(=O)Cc2c[nH]c3ccccc23 |
| SMILES | CACTVS | 3.385 | Oc1cc(ccc1[N+]([O-])=O)C=NNC(=O)Cc2c[nH]c3ccccc23 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1ccc2c(c1)c(c[nH]2)CC(=O)N/N=C/c3ccc(c(c3)O)[N+](=O)[O-] |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1ccc2c(c1)c(c[nH]2)CC(=O)NN=Cc3ccc(c(c3)O)[N+](=O)[O-] |
