Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | Clc1ccccc1Cc1c2cc(Cl)ccc2nc(C)c1C(=O)O |
InChI | InChI | 1.06 | InChI=1S/C18H13Cl2NO2/c1-10-17(18(22)23)14(8-11-4-2-3-5-15(11)20)13-9-12(19)6-7-16(13)21-10/h2-7,9H,8H2,1H3,(H,22,23) |
InChIKey | InChI | 1.06 | YPDFGCUONULOEN-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Cc1nc2ccc(Cl)cc2c(Cc3ccccc3Cl)c1C(O)=O |
SMILES | CACTVS | 3.385 | Cc1nc2ccc(Cl)cc2c(Cc3ccccc3Cl)c1C(O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1c(c(c2cc(ccc2n1)Cl)Cc3ccccc3Cl)C(=O)O |
SMILES | OpenEye OEToolkits | 2.0.7 | Cc1c(c(c2cc(ccc2n1)Cl)Cc3ccccc3Cl)C(=O)O |