Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C1NC(C(=O)O)=C(C(=O)N1)CCc2ccc(OC(F)(F)F)cc2 |
InChI | InChI | 1.03 | InChI=1S/C14H11F3N2O5/c15-14(16,17)24-8-4-1-7(2-5-8)3-6-9-10(12(21)22)18-13(23)19-11(9)20/h1-2,4-5H,3,6H2,(H,21,22)(H2,18,19,20,23) |
InChIKey | InChI | 1.03 | OMXOEMCOOCDBTO-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.370 | OC(=O)C1=C(CCc2ccc(OC(F)(F)F)cc2)C(=O)NC(=O)N1 |
SMILES | CACTVS | 3.370 | OC(=O)C1=C(CCc2ccc(OC(F)(F)F)cc2)C(=O)NC(=O)N1 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1cc(ccc1CCC2=C(NC(=O)NC2=O)C(=O)O)OC(F)(F)F |
SMILES | OpenEye OEToolkits | 1.7.6 | c1cc(ccc1CCC2=C(NC(=O)NC2=O)C(=O)O)OC(F)(F)F |