種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 10.04 | Fc1cc\2c(cc1)N(C(=O)C/2=N\O)Cc4cc(F)cc3c4OCOC3 |
SMILES_CANONICAL | CACTVS | 3.341 | O/N=C1/C(=O)N(Cc2cc(F)cc3COCOc23)c4ccc(F)cc14 |
SMILES | CACTVS | 3.341 | ON=C1C(=O)N(Cc2cc(F)cc3COCOc23)c4ccc(F)cc14 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1cc2c(cc1F)/C(=N\O)/C(=O)N2Cc3cc(cc4c3OCOC4)F |
SMILES | OpenEye OEToolkits | 1.5.0 | c1cc2c(cc1F)C(=NO)C(=O)N2Cc3cc(cc4c3OCOC4)F |
InChI | InChI | 1.03 | InChI=1S/C17H12F2N2O4/c18-11-1-2-14-13(5-11)15(20-23)17(22)21(14)6-9-3-12(19)4-10-7-24-8-25-16(9)10/h1-5,23H,6-8H2/b20-15+ |
InChIKey | InChI | 1.03 | DXIHOIDYHQSQKJ-HMMYKYKNSA-N |