| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C21H19N3O4/c1-13-20(27)19(21(28)22-12-18(25)26)24-17(23-13)11-14-7-9-16(10-8-14)15-5-3-2-4-6-15/h2-10,27H,11-12H2,1H3,(H,22,28)(H,25,26) |
| InChIKey | InChI | 1.06 | RNJLQAHYMHEWME-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1nc(Cc2ccc(cc2)c3ccccc3)nc(C(=O)NCC(O)=O)c1O |
| SMILES | CACTVS | 3.385 | Cc1nc(Cc2ccc(cc2)c3ccccc3)nc(C(=O)NCC(O)=O)c1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1c(c(nc(n1)Cc2ccc(cc2)c3ccccc3)C(=O)NCC(=O)O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1c(c(nc(n1)Cc2ccc(cc2)c3ccccc3)C(=O)NCC(=O)O)O |
