Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C19H17ClN2O5/c1-3-16(25)21-19-17(10-4-6-11(26-2)7-5-10)18(22-27-19)12-8-13(20)15(24)9-14(12)23/h4-9,23-24H,3H2,1-2H3,(H,21,25) |
InChIKey | InChI | 1.03 | TWSMBEWMAUAXGL-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CCC(=O)Nc1onc(c2cc(Cl)c(O)cc2O)c1c3ccc(OC)cc3 |
SMILES | CACTVS | 3.385 | CCC(=O)Nc1onc(c2cc(Cl)c(O)cc2O)c1c3ccc(OC)cc3 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CCC(=O)Nc1c(c(no1)c2cc(c(cc2O)O)Cl)c3ccc(cc3)OC |
SMILES | OpenEye OEToolkits | 2.0.6 | CCC(=O)Nc1c(c(no1)c2cc(c(cc2O)O)Cl)c3ccc(cc3)OC |