| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C2C(=[N@H])/C(/C1=Nc3c(OC1=C2C)c(c(cc3C=O)N)C)=C\O |
| InChI | InChI | 1.06 | InChI=1S/C16H13N3O6/c1-4-7(17)3-6(15(21)22)10-13(4)25-14-5(2)12(20)9(18)8(16(23)24)11(14)19-10/h3,18,23-24H,17H2,1-2H3,(H,21,22)/b18-9- |
| InChIKey | InChI | 1.06 | LOBCIKZSYRQAOC-NVMNQCDNSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1c(N)cc(C(O)=O)c2N=C3C(=C(C)C(=O)C(=N)C3=C(O)O)Oc12 |
| SMILES | CACTVS | 3.385 | Cc1c(N)cc(C(O)=O)c2N=C3C(=C(C)C(=O)C(=N)C3=C(O)O)Oc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | [H]/N=C\1/C(=C(O)O)C2=Nc3c(cc(c(c3OC2=C(C1=O)C)C)N)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1c(cc(c2c1OC3=C(C(=O)C(=N)C(=C(O)O)C3=N2)C)C(=O)O)N |
