| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c1(cc(c(cc1)Oc2ccccc2)C(O)=O)c3cnnc3 |
| InChI | InChI | 1.03 | InChI=1S/C16H12N2O3/c19-16(20)14-8-11(12-9-17-18-10-12)6-7-15(14)21-13-4-2-1-3-5-13/h1-10H,(H,17,18)(H,19,20) |
| InChIKey | InChI | 1.03 | GTIPHUDSAYUQQM-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)c1cc(ccc1Oc2ccccc2)c3c[nH]nc3 |
| SMILES | CACTVS | 3.385 | OC(=O)c1cc(ccc1Oc2ccccc2)c3c[nH]nc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1ccc(cc1)Oc2ccc(cc2C(=O)O)c3c[nH]nc3 |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1ccc(cc1)Oc2ccc(cc2C(=O)O)c3c[nH]nc3 |
