1BD
Summary
| Name: | 3-[({(1E)-[2-(trifluoromethyl)phenyl]methylidene}amino)oxy]propanoic acid |
| Synonyms: | (E)-3-(2-(trifluoromethyl)benzylideneaminooxy)propanoic acid |
| Formula: | C11 H10 F3 N O3 |
| Formal charge: | 0 |
| Formula weight: | 261.197 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 3-[({(1E)-[2-(trifluoromethyl)phenyl]methylidene}amino)oxy]propanoic acid |
| OpenEye OEToolkits | 1.5.0 | 3-[[2-(trifluoromethyl)phenyl]methylideneamino]oxypropanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | FC(F)(F)c1ccccc1\C=N\OCCC(=O)O |
| SMILES_CANONICAL | CACTVS | 3.341 | OC(=O)CCO\N=C\c1ccccc1C(F)(F)F |
| SMILES | CACTVS | 3.341 | OC(=O)CCON=Cc1ccccc1C(F)(F)F |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1ccc(c(c1)\C=N\OCCC(=O)O)C(F)(F)F |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1ccc(c(c1)C=NOCCC(=O)O)C(F)(F)F |
| InChI | InChI | 1.03 | InChI=1S/C11H10F3NO3/c12-11(13,14)9-4-2-1-3-8(9)7-15-18-6-5-10(16)17/h1-4,7H,5-6H2,(H,16,17)/b15-7+ |
| InChIKey | InChI | 1.03 | NBNFAYOWJREHBN-VIZOYTHASA-N |
