| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 10.04 | O=C(O)c2c(nn(c1ccccc1)c2C(=O)O)c3ccccc3 |
| SMILES_CANONICAL | CACTVS | 3.341 | OC(=O)c1n(nc(c2ccccc2)c1C(O)=O)c3ccccc3 |
| SMILES | CACTVS | 3.341 | OC(=O)c1n(nc(c2ccccc2)c1C(O)=O)c3ccccc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)c2c(c(n(n2)c3ccccc3)C(=O)O)C(=O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)c2c(c(n(n2)c3ccccc3)C(=O)O)C(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C17H12N2O4/c20-16(21)13-14(11-7-3-1-4-8-11)18-19(15(13)17(22)23)12-9-5-2-6-10-12/h1-10H,(H,20,21)(H,22,23) |
| InChIKey | InChI | 1.03 | WERNQSNSNVDBBJ-UHFFFAOYSA-N |
