Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | Brc2cc(/C=N/NC(=O)C(c1ccccc1)N)ccc2O |
SMILES_CANONICAL | CACTVS | 3.370 | N[C@H](C(=O)N\N=C\c1ccc(O)c(Br)c1)c2ccccc2 |
SMILES | CACTVS | 3.370 | N[CH](C(=O)NN=Cc1ccc(O)c(Br)c1)c2ccccc2 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | c1ccc(cc1)[C@@H](C(=O)N/N=C/c2ccc(c(c2)Br)O)N |
SMILES | OpenEye OEToolkits | 1.7.0 | c1ccc(cc1)C(C(=O)NN=Cc2ccc(c(c2)Br)O)N |
InChI | InChI | 1.03 | InChI=1S/C15H14BrN3O2/c16-12-8-10(6-7-13(12)20)9-18-19-15(21)14(17)11-4-2-1-3-5-11/h1-9,14,20H,17H2,(H,19,21)/b18-9+/t14-/m0/s1 |
InChIKey | InChI | 1.03 | LFYFEEHPORTFLQ-RMNBPEERSA-N |