Type | Program | Version | Descriptor |
SMILES | ACDLabs | 11.02 | O=C(O)c1nc(nc(O)c1O)Cc2cc(Cl)c(Cl)cc2 |
SMILES_CANONICAL | CACTVS | 3.352 | OC(=O)c1nc(Cc2ccc(Cl)c(Cl)c2)nc(O)c1O |
SMILES | CACTVS | 3.352 | OC(=O)c1nc(Cc2ccc(Cl)c(Cl)c2)nc(O)c1O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | c1cc(c(cc1Cc2nc(c(c(n2)O)O)C(=O)O)Cl)Cl |
SMILES | OpenEye OEToolkits | 1.7.0 | c1cc(c(cc1Cc2nc(c(c(n2)O)O)C(=O)O)Cl)Cl |
InChI | InChI | 1.03 | InChI=1S/C12H8Cl2N2O4/c13-6-2-1-5(3-7(6)14)4-8-15-9(12(19)20)10(17)11(18)16-8/h1-3,17H,4H2,(H,19,20)(H,15,16,18) |
InChIKey | InChI | 1.03 | OZDSTVKQUHMIRA-UHFFFAOYSA-N |