| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(Nc1nnc(o1)c2occc2)NCc3cccc(OCC(=O)O)c3 |
| InChI | InChI | 1.03 | InChI=1S/C16H14N4O6/c21-13(22)9-25-11-4-1-3-10(7-11)8-17-15(23)18-16-20-19-14(26-16)12-5-2-6-24-12/h1-7H,8-9H2,(H,21,22)(H2,17,18,20,23) |
| InChIKey | InChI | 1.03 | COAUEHYQQBGZLC-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | OC(=O)COc1cccc(CNC(=O)Nc2oc(nn2)c3occc3)c1 |
| SMILES | CACTVS | 3.370 | OC(=O)COc1cccc(CNC(=O)Nc2oc(nn2)c3occc3)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1cc(cc(c1)OCC(=O)O)CNC(=O)Nc2nnc(o2)c3ccco3 |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1cc(cc(c1)OCC(=O)O)CNC(=O)Nc2nnc(o2)c3ccco3 |
