Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | Clc1ccccc1Oc1c2cc(Cl)ccc2nc(C)c1C(=O)O |
InChI | InChI | 1.06 | InChI=1S/C17H11Cl2NO3/c1-9-15(17(21)22)16(23-14-5-3-2-4-12(14)19)11-8-10(18)6-7-13(11)20-9/h2-8H,1H3,(H,21,22) |
InChIKey | InChI | 1.06 | ABPWAZGWFVYLDD-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Cc1nc2ccc(Cl)cc2c(Oc3ccccc3Cl)c1C(O)=O |
SMILES | CACTVS | 3.385 | Cc1nc2ccc(Cl)cc2c(Oc3ccccc3Cl)c1C(O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1c(c(c2cc(ccc2n1)Cl)Oc3ccccc3Cl)C(=O)O |
SMILES | OpenEye OEToolkits | 2.0.7 | Cc1c(c(c2cc(ccc2n1)Cl)Oc3ccccc3Cl)C(=O)O |