8BD
Summary
| Name: | 3-({[(1Z)-(2-methoxyphenyl)methylidene]amino}oxy)propanoic acid |
| Synonyms: | (E)-3-(2-methoxybenzylideneaminooxy)propanoic acid |
| Formula: | C11 H13 N O4 |
| Formal charge: | 0 |
| Formula weight: | 223.225 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 3-({[(1Z)-(2-methoxyphenyl)methylidene]amino}oxy)propanoic acid |
| OpenEye OEToolkits | 1.5.0 | 3-[(2-methoxyphenyl)methylideneamino]oxypropanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)CCO\N=C/c1ccccc1OC |
| SMILES_CANONICAL | CACTVS | 3.341 | COc1ccccc1\C=N/OCCC(O)=O |
| SMILES | CACTVS | 3.341 | COc1ccccc1C=NOCCC(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | COc1ccccc1\C=N/OCCC(=O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | COc1ccccc1C=NOCCC(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C11H13NO4/c1-15-10-5-3-2-4-9(10)8-12-16-7-6-11(13)14/h2-5,8H,6-7H2,1H3,(H,13,14)/b12-8- |
| InChIKey | InChI | 1.03 | HNYXMVDBRIIJGT-WQLSENKSSA-N |
