NEK
Summary
| Name: | 3-[(~{E})-(4-hydroxyphenyl)methylideneamino]oxypropanoic acid |
| Formula: | C10 H11 N O4 |
| Formal charge: | 0 |
| Formula weight: | 209.199 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 3-[(~{E})-(4-hydroxyphenyl)methylideneamino]oxypropanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C10H11NO4/c12-9-3-1-8(2-4-9)7-11-15-6-5-10(13)14/h1-4,7,12H,5-6H2,(H,13,14)/b11-7+ |
| InChIKey | InChI | 1.03 | RWWIOUDUCKNDSJ-YRNVUSSQSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)CCO\N=C\c1ccc(O)cc1 |
| SMILES | CACTVS | 3.385 | OC(=O)CCON=Cc1ccc(O)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1/C=N/OCCC(=O)O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1C=NOCCC(=O)O)O |
