| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C17H16ClN3O4/c1-9-3-4-13(20-19-9)10(2)24-16-8-15-11(7-12(16)18)14(21-25-15)5-6-17(22)23/h3-4,7-8,10H,5-6H2,1-2H3,(H,22,23)/t10-/m1/s1 |
| InChIKey | InChI | 1.03 | YWASLAPMFGBZQP-SNVBAGLBSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@@H](Oc1cc2onc(CCC(O)=O)c2cc1Cl)c3ccc(C)nn3 |
| SMILES | CACTVS | 3.385 | C[CH](Oc1cc2onc(CCC(O)=O)c2cc1Cl)c3ccc(C)nn3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | Cc1ccc(nn1)[C@@H](C)Oc2cc3c(cc2Cl)c(no3)CCC(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | Cc1ccc(nn1)C(C)Oc2cc3c(cc2Cl)c(no3)CCC(=O)O |
