種別 | プログラム | バージョン | 表記 |
InChI | InChI | 1.03 | InChI=1S/C17H13F2N3O5/c18-10-2-1-8(11(19)5-10)6-21-16(25)13-14(24)12-9(7-23)3-4-20-15(12)22(27)17(13)26/h1-5,23-24,27H,6-7H2,(H,21,25) |
InChIKey | InChI | 1.03 | YJOIFBSYIJCYQU-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | OCc1ccnc2N(O)C(=O)C(=C(O)c12)C(=O)NCc3ccc(F)cc3F |
SMILES | CACTVS | 3.385 | OCc1ccnc2N(O)C(=O)C(=C(O)c12)C(=O)NCc3ccc(F)cc3F |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(c(cc1F)F)CNC(=O)C2=C(c3c(ccnc3N(C2=O)O)CO)O |
SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(c(cc1F)F)CNC(=O)C2=C(c3c(ccnc3N(C2=O)O)CO)O |