| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | FC(F)(F)c1cc(c(cc1)n1ncc(C#N)c1N)[N+]([O-])=O |
| InChI | InChI | 1.06 | InChI=1S/C11H6F3N5O2/c12-11(13,14)7-1-2-8(9(3-7)19(20)21)18-10(16)6(4-15)5-17-18/h1-3,5H,16H2 |
| InChIKey | InChI | 1.06 | CHSSXZWQMONVKB-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Nc1n(ncc1C#N)c2ccc(cc2[N+]([O-])=O)C(F)(F)F |
| SMILES | CACTVS | 3.385 | Nc1n(ncc1C#N)c2ccc(cc2[N+]([O-])=O)C(F)(F)F |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | c1cc(c(cc1C(F)(F)F)[N+](=O)[O-])n2c(c(cn2)C#N)N |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | c1cc(c(cc1C(F)(F)F)[N+](=O)[O-])n2c(c(cn2)C#N)N |
