Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | Brc1cc(cc(Br)c1O)NC(=O)c2c(cccc2C)C |
SMILES_CANONICAL | CACTVS | 3.341 | Cc1cccc(C)c1C(=O)Nc2cc(Br)c(O)c(Br)c2 |
SMILES | CACTVS | 3.341 | Cc1cccc(C)c1C(=O)Nc2cc(Br)c(O)c(Br)c2 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | Cc1cccc(c1C(=O)Nc2cc(c(c(c2)Br)O)Br)C |
SMILES | OpenEye OEToolkits | 1.5.0 | Cc1cccc(c1C(=O)Nc2cc(c(c(c2)Br)O)Br)C |
InChI | InChI | 1.03 | InChI=1S/C15H13Br2NO2/c1-8-4-3-5-9(2)13(8)15(20)18-10-6-11(16)14(19)12(17)7-10/h3-7,19H,1-2H3,(H,18,20) |
InChIKey | InChI | 1.03 | IFECSMFQARKPSU-UHFFFAOYSA-N |