| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)c4nnc(c1cc(c(O)cc1O)CC)c4c2ccc3OCOc3c2 |
| SMILES_CANONICAL | CACTVS | 3.341 | CCc1cc(c(O)cc1O)c2n[nH]c(C(O)=O)c2c3ccc4OCOc4c3 |
| SMILES | CACTVS | 3.341 | CCc1cc(c(O)cc1O)c2n[nH]c(C(O)=O)c2c3ccc4OCOc4c3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CCc1cc(c(cc1O)O)c2c(c([nH]n2)C(=O)O)c3ccc4c(c3)OCO4 |
| SMILES | OpenEye OEToolkits | 1.5.0 | CCc1cc(c(cc1O)O)c2c(c([nH]n2)C(=O)O)c3ccc4c(c3)OCO4 |
| InChI | InChI | 1.03 | InChI=1S/C19H16N2O6/c1-2-9-5-11(13(23)7-12(9)22)17-16(18(19(24)25)21-20-17)10-3-4-14-15(6-10)27-8-26-14/h3-7,22-23H,2,8H2,1H3,(H,20,21)(H,24,25) |
| InChIKey | InChI | 1.03 | LCTWZJKHOGKNMX-UHFFFAOYSA-N |
