O8I
Summary
| Name: | ethyl (2~{Z})-2-hydroxyimino-3-oxidanylidene-pentanoate |
| Synonyms: | ethyl (Z)-2-(hydroxyimino)-3-oxopentanoate |
| Formula: | C7 H11 N O4 |
| Formal charge: | 0 |
| Formula weight: | 173.167 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 3.1.0.0 | ethyl (2~{Z})-2-hydroxyimino-3-oxidanylidene-pentanoate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C7H11NO4/c1-3-5(9)6(8-11)7(10)12-4-2/h11H,3-4H2,1-2H3/b8-6- |
| InChIKey | InChI | 1.06 | FOGXVRUMMPWXRL-VURMDHGXSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCOC(=O)\C(=N/O)C(=O)CC |
| SMILES | CACTVS | 3.385 | CCOC(=O)C(=NO)C(=O)CC |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | CCC(=O)/C(=N/O)/C(=O)OCC |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | CCC(=O)C(=NO)C(=O)OCC |
