Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | Brc3ccccc3Oc2ccc(/C=C(/C(=O)O)NC(=O)c1ccccc1)cc2 |
SMILES_CANONICAL | CACTVS | 3.341 | OC(=O)C(/NC(=O)c1ccccc1)=C/c2ccc(Oc3ccccc3Br)cc2 |
SMILES | CACTVS | 3.341 | OC(=O)C(NC(=O)c1ccccc1)=Cc2ccc(Oc3ccccc3Br)cc2 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)C(=O)N/C(=C\c2ccc(cc2)Oc3ccccc3Br)/C(=O)O |
SMILES | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)C(=O)NC(=Cc2ccc(cc2)Oc3ccccc3Br)C(=O)O |
InChI | InChI | 1.03 | InChI=1S/C22H16BrNO4/c23-18-8-4-5-9-20(18)28-17-12-10-15(11-13-17)14-19(22(26)27)24-21(25)16-6-2-1-3-7-16/h1-14H,(H,24,25)(H,26,27)/b19-14- |
InChIKey | InChI | 1.03 | WLPJLQNKCJWAFL-RGEXLXHISA-N |