| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | Clc1ccc(cc1)C(CC(=O)O)NC(=O)c1ncnc2[NH]ccc12 |
| InChI | InChI | 1.06 | InChI=1S/C16H13ClN4O3/c17-10-3-1-9(2-4-10)12(7-13(22)23)21-16(24)14-11-5-6-18-15(11)20-8-19-14/h1-6,8,12H,7H2,(H,21,24)(H,22,23)(H,18,19,20)/t12-/m0/s1 |
| InChIKey | InChI | 1.06 | OVRVXLSQHCBTFU-LBPRGKRZSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)C[C@H](NC(=O)c1ncnc2[nH]ccc12)c3ccc(Cl)cc3 |
| SMILES | CACTVS | 3.385 | OC(=O)C[CH](NC(=O)c1ncnc2[nH]ccc12)c3ccc(Cl)cc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | c1cc(ccc1[C@H](CC(=O)O)NC(=O)c2c3cc[nH]c3ncn2)Cl |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | c1cc(ccc1C(CC(=O)O)NC(=O)c2c3cc[nH]c3ncn2)Cl |
