Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | Br[C@H]=CC=1C(=O)NC(=O)N(C=1)C2OC(C(O)C2)CO |
SMILES_CANONICAL | CACTVS | 3.341 | OC[C@H]1O[C@H](C[C@@H]1O)N2C=C(\C=C\Br)C(=O)NC2=O |
SMILES | CACTVS | 3.341 | OC[CH]1O[CH](C[CH]1O)N2C=C(C=CBr)C(=O)NC2=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)\C=C\Br)CO)O |
SMILES | OpenEye OEToolkits | 1.5.0 | C1C(C(OC1N2C=C(C(=O)NC2=O)C=CBr)CO)O |
InChI | InChI | 1.03 | InChI=1S/C11H13BrN2O5/c12-2-1-6-4-14(11(18)13-10(6)17)9-3-7(16)8(5-15)19-9/h1-2,4,7-9,15-16H,3,5H2,(H,13,17,18)/b2-1+/t7-,8+,9+/m0/s1 |
InChIKey | InChI | 1.03 | ODZBBRURCPAEIQ-PIXDULNESA-N |