| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | OC(c1cc(N)ccc1C2=C4C=CC(C=C4Oc3c2ccc(c3)O)=O)=O |
| InChI | InChI | 1.03 | InChI=1S/C20H13NO5/c21-10-1-4-13(16(7-10)20(24)25)19-14-5-2-11(22)8-17(14)26-18-9-12(23)3-6-15(18)19/h1-9,22H,21H2,(H,24,25) |
| InChIKey | InChI | 1.03 | UTUYQGGHTUQHQQ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Nc1ccc(c(c1)C(O)=O)C2=C3C=CC(=O)C=C3Oc4cc(O)ccc24 |
| SMILES | CACTVS | 3.385 | Nc1ccc(c(c1)C(O)=O)C2=C3C=CC(=O)C=C3Oc4cc(O)ccc24 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | c1cc(c(cc1N)C(=O)O)C2=C3C=CC(=O)C=C3Oc4c2ccc(c4)O |
| SMILES | OpenEye OEToolkits | 1.9.2 | c1cc(c(cc1N)C(=O)O)C2=C3C=CC(=O)C=C3Oc4c2ccc(c4)O |
