| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C25H20N6O3/c1-29-16-21(15-27-29)20-12-19-11-17(5-6-23(19)26-14-20)9-10-30-25(32)8-7-24(28-30)18-3-2-4-22(13-18)31(33)34/h2-8,11-16H,9-10H2,1H3 |
| InChIKey | InChI | 1.03 | CLULHEURWZPEMA-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cn1cc(cn1)c2cnc3ccc(CCN4N=C(C=CC4=O)c5cccc(c5)[N+]([O-])=O)cc3c2 |
| SMILES | CACTVS | 3.385 | Cn1cc(cn1)c2cnc3ccc(CCN4N=C(C=CC4=O)c5cccc(c5)[N+]([O-])=O)cc3c2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cn1cc(cn1)c2cc3cc(ccc3nc2)CCN4C(=O)C=CC(=N4)c5cccc(c5)[N+](=O)[O-] |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cn1cc(cn1)c2cc3cc(ccc3nc2)CCN4C(=O)C=CC(=N4)c5cccc(c5)[N+](=O)[O-] |
