Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | c2(C(O)=O)cc(c1cc(ccc1)Br)nc3ccc(Cl)cc23 |
InChI | InChI | 1.03 | InChI=1S/C16H9BrClNO2/c17-10-3-1-2-9(6-10)15-8-13(16(20)21)12-7-11(18)4-5-14(12)19-15/h1-8H,(H,20,21) |
InChIKey | InChI | 1.03 | UEYRXZBCYPCXSJ-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)c1cc(nc2ccc(Cl)cc12)c3cccc(Br)c3 |
SMILES | CACTVS | 3.385 | OC(=O)c1cc(nc2ccc(Cl)cc12)c3cccc(Br)c3 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | c1cc(cc(c1)Br)c2cc(c3cc(ccc3n2)Cl)C(=O)O |
SMILES | OpenEye OEToolkits | 1.9.2 | c1cc(cc(c1)Br)c2cc(c3cc(ccc3n2)Cl)C(=O)O |