Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | c1(cc(C(NC)=O)nc1)C(=O)c2c(cccc2Cl)Cl |
InChI | InChI | 1.03 | InChI=1S/C13H10Cl2N2O2/c1-16-13(19)10-5-7(6-17-10)12(18)11-8(14)3-2-4-9(11)15/h2-6,17H,1H3,(H,16,19) |
InChIKey | InChI | 1.03 | IMCVPHRDALQWTJ-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CNC(=O)c1[nH]cc(c1)C(=O)c2c(Cl)cccc2Cl |
SMILES | CACTVS | 3.385 | CNC(=O)c1[nH]cc(c1)C(=O)c2c(Cl)cccc2Cl |
SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | CNC(=O)c1cc(c[nH]1)C(=O)c2c(cccc2Cl)Cl |
SMILES | OpenEye OEToolkits | 1.9.2 | CNC(=O)c1cc(c[nH]1)C(=O)c2c(cccc2Cl)Cl |