| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | OC(=O)C=1NC(=CC(C=1O)=O)c2cccc(c2)c3nnnn3 |
| InChI | InChI | 1.03 | InChI=1S/C13H9N5O4/c19-9-5-8(14-10(11(9)20)13(21)22)6-2-1-3-7(4-6)12-15-17-18-16-12/h1-5,20H,(H,14,19)(H,21,22)(H,15,16,17,18) |
| InChIKey | InChI | 1.03 | KPXVENWWYNXYEC-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)C1=C(O)C(=O)C=C(N1)c2cccc(c2)c3[nH]nnn3 |
| SMILES | CACTVS | 3.385 | OC(=O)C1=C(O)C(=O)C=C(N1)c2cccc(c2)c3[nH]nnn3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1cc(cc(c1)C2=CC(=O)C(=C(N2)C(=O)O)O)c3[nH]nnn3 |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1cc(cc(c1)C2=CC(=O)C(=C(N2)C(=O)O)O)c3[nH]nnn3 |
