Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | Brc1cc(c(O)c(Br)c1O)\C=N\NC(=O)c2ccc(Cl)cc2 |
SMILES_CANONICAL | CACTVS | 3.341 | Oc1c(Br)cc(/C=N/NC(=O)c2ccc(Cl)cc2)c(O)c1Br |
SMILES | CACTVS | 3.341 | Oc1c(Br)cc(C=NNC(=O)c2ccc(Cl)cc2)c(O)c1Br |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1cc(ccc1C(=O)N/N=C/c2cc(c(c(c2O)Br)O)Br)Cl |
SMILES | OpenEye OEToolkits | 1.5.0 | c1cc(ccc1C(=O)NN=Cc2cc(c(c(c2O)Br)O)Br)Cl |
InChI | InChI | 1.03 | InChI=1S/C14H9Br2ClN2O3/c15-10-5-8(12(20)11(16)13(10)21)6-18-19-14(22)7-1-3-9(17)4-2-7/h1-6,20-21H,(H,19,22)/b18-6+ |
InChIKey | InChI | 1.03 | ZDMUFSJTENTNDA-NGYBGAFCSA-N |