Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(O)Cc2c1c(c(Cl)ccc1Cl)nc2C(=O)O |
SMILES_CANONICAL | CACTVS | 3.370 | OC(=O)Cc1c([nH]c2c(Cl)ccc(Cl)c12)C(O)=O |
SMILES | CACTVS | 3.370 | OC(=O)Cc1c([nH]c2c(Cl)ccc(Cl)c12)C(O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | c1cc(c2c(c1Cl)c(c([nH]2)C(=O)O)CC(=O)O)Cl |
SMILES | OpenEye OEToolkits | 1.7.0 | c1cc(c2c(c1Cl)c(c([nH]2)C(=O)O)CC(=O)O)Cl |
InChI | InChI | 1.03 | InChI=1S/C11H7Cl2NO4/c12-5-1-2-6(13)10-8(5)4(3-7(15)16)9(14-10)11(17)18/h1-2,14H,3H2,(H,15,16)(H,17,18) |
InChIKey | InChI | 1.03 | GQXFZEWSJBOLCT-UHFFFAOYSA-N |