Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | Brc1cc(c(O)c(Br)c1O)\C=N\NC(=O)c2cccc(Br)c2 |
SMILES_CANONICAL | CACTVS | 3.341 | Oc1c(Br)cc(/C=N/NC(=O)c2cccc(Br)c2)c(O)c1Br |
SMILES | CACTVS | 3.341 | Oc1c(Br)cc(C=NNC(=O)c2cccc(Br)c2)c(O)c1Br |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1cc(cc(c1)Br)C(=O)N/N=C/c2cc(c(c(c2O)Br)O)Br |
SMILES | OpenEye OEToolkits | 1.5.0 | c1cc(cc(c1)Br)C(=O)NN=Cc2cc(c(c(c2O)Br)O)Br |
InChI | InChI | 1.03 | InChI=1S/C14H9Br3N2O3/c15-9-3-1-2-7(4-9)14(22)19-18-6-8-5-10(16)13(21)11(17)12(8)20/h1-6,20-21H,(H,19,22)/b18-6+ |
InChIKey | InChI | 1.03 | VOWXAXNVAGLOGM-NGYBGAFCSA-N |