| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 10.04 | O=CC=2C1=Nc3c(OC1=C(C(=O)C=2N)C)c(ccc3C=O)C |
| InChI | InChI | 1.06 | InChI=1S/C16H12N2O6/c1-5-3-4-7(15(20)21)10-13(5)24-14-6(2)12(19)9(17)8(16(22)23)11(14)18-10/h3-4H,17H2,1-2H3,(H,20,21)(H,22,23) |
| InChIKey | InChI | 1.06 | KXRMREPJUITWDU-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1ccc(C(O)=O)c2N=C3C(=C(C)C(=O)C(=C3C(O)=O)N)Oc12 |
| SMILES | CACTVS | 3.385 | Cc1ccc(C(O)=O)c2N=C3C(=C(C)C(=O)C(=C3C(O)=O)N)Oc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1ccc(c2c1OC3=C(C(=O)C(=C(C3=N2)C(=O)O)N)C)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1ccc(c2c1OC3=C(C(=O)C(=C(C3=N2)C(=O)O)N)C)C(=O)O |
