種別 | プログラム | バージョン | 表記 |
InChI | InChI | 1.06 | InChI=1S/C17H12ClN3O5/c18-11-3-1-2-9(4-11)12-6-14(26-21-12)10-5-13(22)16(19-7-10)17(25)20-8-15(23)24/h1-7,22H,8H2,(H,20,25)(H,23,24) |
InChIKey | InChI | 1.06 | LXJZOEXMNSUCFH-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)CNC(=O)c1ncc(cc1O)c2onc(c2)c3cccc(Cl)c3 |
SMILES | CACTVS | 3.385 | OC(=O)CNC(=O)c1ncc(cc1O)c2onc(c2)c3cccc(Cl)c3 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(cc(c1)Cl)c2cc(on2)c3cc(c(nc3)C(=O)NCC(=O)O)O |
SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(cc(c1)Cl)c2cc(on2)c3cc(c(nc3)C(=O)NCC(=O)O)O |