| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=[N+]([O-])c1cc(ccc1Cl)NC(=O)NC(c2cccc(\C(=N\OCCN)C)c2)(C)C |
| InChI | InChI | 1.03 | InChI=1S/C20H24ClN5O4/c1-13(25-30-10-9-22)14-5-4-6-15(11-14)20(2,3)24-19(27)23-16-7-8-17(21)18(12-16)26(28)29/h4-8,11-12H,9-10,22H2,1-3H3,(H2,23,24,27)/b25-13+ |
| InChIKey | InChI | 1.03 | MAIRRISEQUGPIE-DHRITJCHSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(=N/OCCN)\c1cccc(c1)C(C)(C)NC(=O)Nc2ccc(Cl)c(c2)[N+]([O-])=O |
| SMILES | CACTVS | 3.385 | CC(=NOCCN)c1cccc(c1)C(C)(C)NC(=O)Nc2ccc(Cl)c(c2)[N+]([O-])=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | C/C(=N\OCCN)/c1cccc(c1)C(C)(C)NC(=O)Nc2ccc(c(c2)[N+](=O)[O-])Cl |
| SMILES | OpenEye OEToolkits | 1.7.6 | CC(=NOCCN)c1cccc(c1)C(C)(C)NC(=O)Nc2ccc(c(c2)[N+](=O)[O-])Cl |
