| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)C(NC(=O)c1nc2ccccc2nc1)CO |
| SMILES_CANONICAL | CACTVS | 3.352 | OC[C@@H](NC(=O)c1cnc2ccccc2n1)C(O)=O |
| SMILES | CACTVS | 3.352 | OC[CH](NC(=O)c1cnc2ccccc2n1)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.6.1 | c1ccc2c(c1)ncc(n2)C(=O)N[C@H](CO)C(=O)O |
| SMILES | OpenEye OEToolkits | 1.6.1 | c1ccc2c(c1)ncc(n2)C(=O)NC(CO)C(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C12H11N3O4/c16-6-10(12(18)19)15-11(17)9-5-13-7-3-1-2-4-8(7)14-9/h1-5,10,16H,6H2,(H,15,17)(H,18,19)/t10-/m1/s1 |
| InChIKey | InChI | 1.03 | LGAAZSQTJQTRJH-SNVBAGLBSA-N |
