| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C22H16ClN3O7/c1-24-15-9-13(20(29)19-17(27)3-2-4-18(19)28)16(26(32)33)10-14(15)21(30)25(22(24)31)12-7-5-11(23)6-8-12/h5-10,27H,2-4H2,1H3 |
| InChIKey | InChI | 1.06 | ZORAUUJNIZHGRH-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN1C(=O)N(C(=O)c2cc(c(cc12)C(=O)C3=C(O)CCCC3=O)[N+]([O-])=O)c4ccc(Cl)cc4 |
| SMILES | CACTVS | 3.385 | CN1C(=O)N(C(=O)c2cc(c(cc12)C(=O)C3=C(O)CCCC3=O)[N+]([O-])=O)c4ccc(Cl)cc4 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CN1c2cc(c(cc2C(=O)N(C1=O)c3ccc(cc3)Cl)[N+](=O)[O-])C(=O)C4=C(CCCC4=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CN1c2cc(c(cc2C(=O)N(C1=O)c3ccc(cc3)Cl)[N+](=O)[O-])C(=O)C4=C(CCCC4=O)O |
