Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | Brc1cc(c(O)c(Br)c1O)\C=N\NC(=O)c3cc2ccccc2cc3 |
SMILES_CANONICAL | CACTVS | 3.341 | Oc1c(Br)cc(/C=N/NC(=O)c2ccc3ccccc3c2)c(O)c1Br |
SMILES | CACTVS | 3.341 | Oc1c(Br)cc(C=NNC(=O)c2ccc3ccccc3c2)c(O)c1Br |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1ccc2cc(ccc2c1)C(=O)N/N=C/c3cc(c(c(c3O)Br)O)Br |
SMILES | OpenEye OEToolkits | 1.5.0 | c1ccc2cc(ccc2c1)C(=O)NN=Cc3cc(c(c(c3O)Br)O)Br |
InChI | InChI | 1.03 | InChI=1S/C18H12Br2N2O3/c19-14-8-13(16(23)15(20)17(14)24)9-21-22-18(25)12-6-5-10-3-1-2-4-11(10)7-12/h1-9,23-24H,(H,22,25)/b21-9+ |
InChIKey | InChI | 1.03 | LVLHTGJPIBVDTM-ZVBGSRNCSA-N |