Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C16H15F3N2O4/c1-8-12(15(22)25-3)13(14(21(23)24)9(2)20-8)10-6-4-5-7-11(10)16(17,18)19/h4-7,13,20H,1-3H3/t13-/m0/s1 |
InChIKey | InChI | 1.03 | ZFLWDHHVRRZMEI-ZDUSSCGKSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | COC(=O)C1=C(C)NC(=C([C@H]1c2ccccc2C(F)(F)F)[N](=O)=O)C |
SMILES | CACTVS | 3.385 | COC(=O)C1=C(C)NC(=C([CH]1c2ccccc2C(F)(F)F)[N](=O)=O)C |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CC1=C([C@@H](C(=C(N1)C)N(=O)=O)c2ccccc2C(F)(F)F)C(=O)OC |
SMILES | OpenEye OEToolkits | 2.0.6 | CC1=C(C(C(=C(N1)C)N(=O)=O)c2ccccc2C(F)(F)F)C(=O)OC |