Type | Program | Version | Descriptor |
InChI | InChI | 1.06 | InChI=1S/C22H16ClN3O4/c1-2-13-3-5-14(6-4-13)22-25-19-11-15(7-10-20(19)30-22)24-21(27)17-12-16(26(28)29)8-9-18(17)23/h3-12H,2H2,1H3,(H,24,27) |
InChIKey | InChI | 1.06 | WFEBALYYDASKIV-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CCc1ccc(cc1)c2oc3ccc(NC(=O)c4cc(ccc4Cl)[N](=O)=O)cc3n2 |
SMILES | CACTVS | 3.385 | CCc1ccc(cc1)c2oc3ccc(NC(=O)c4cc(ccc4Cl)[N](=O)=O)cc3n2 |
SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | CCc1ccc(cc1)c2nc3cc(ccc3o2)NC(=O)c4cc(ccc4Cl)N(=O)=O |
SMILES | OpenEye OEToolkits | 3.1.0.0 | CCc1ccc(cc1)c2nc3cc(ccc3o2)NC(=O)c4cc(ccc4Cl)N(=O)=O |