| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Clc1cc(cc(Cl)c1)COC(=O)N1CC2(C1)CC(NC(=O)c1ccc3nn[NH]c3c1)CO2 |
| InChI | InChI | 1.06 | InChI=1S/C21H19Cl2N5O4/c22-14-3-12(4-15(23)6-14)8-31-20(30)28-10-21(11-28)7-16(9-32-21)24-19(29)13-1-2-17-18(5-13)26-27-25-17/h1-6,16H,7-11H2,(H,24,29)(H,25,26,27) |
| InChIKey | InChI | 1.06 | OAHNIUIHQZJKPW-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Clc1cc(Cl)cc(COC(=O)N2CC3(C[C@@H](CO3)NC(=O)c4ccc5nn[nH]c5c4)C2)c1 |
| SMILES | CACTVS | 3.385 | Clc1cc(Cl)cc(COC(=O)N2CC3(C[CH](CO3)NC(=O)c4ccc5nn[nH]c5c4)C2)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc2c(cc1C(=O)N[C@H]3CC4(CN(C4)C(=O)OCc5cc(cc(c5)Cl)Cl)OC3)[nH]nn2 |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc2c(cc1C(=O)NC3CC4(CN(C4)C(=O)OCc5cc(cc(c5)Cl)Cl)OC3)[nH]nn2 |
