| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(Nc1nnc(c1)C2CC2)c3ccc(C(=O)O)cc3 |
| InChI | InChI | 1.03 | InChI=1S/C14H13N3O3/c18-13(9-3-5-10(6-4-9)14(19)20)15-12-7-11(16-17-12)8-1-2-8/h3-8H,1-2H2,(H,19,20)(H2,15,16,17,18) |
| InChIKey | InChI | 1.03 | XOKMDOXIMWIBTG-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | OC(=O)c1ccc(cc1)C(=O)Nc2cc([nH]n2)C3CC3 |
| SMILES | CACTVS | 3.370 | OC(=O)c1ccc(cc1)C(=O)Nc2cc([nH]n2)C3CC3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.2 | c1cc(ccc1C(=O)Nc2cc([nH]n2)C3CC3)C(=O)O |
| SMILES | OpenEye OEToolkits | 1.7.2 | c1cc(ccc1C(=O)Nc2cc([nH]n2)C3CC3)C(=O)O |
