T9W
Summary
| Name: | 2-[4-(2,5-Dioxopyrrolidin-1-yl)phenoxy]acetate |
| Synonyms: | 2-[4-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]phenoxy]ethanoic acid |
| Formula: | C12 H10 N O5 |
| Formal charge: | -1 |
| Formula weight: | 248.211 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 2-[4-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]phenoxy]ethanoate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C12H11NO5/c14-10-5-6-11(15)13(10)8-1-3-9(4-2-8)18-7-12(16)17/h1-4H,5-7H2,(H,16,17)/p-1 |
| InChIKey | InChI | 1.03 | DVXARNQLROBEQU-UHFFFAOYSA-M |
| SMILES_CANONICAL | CACTVS | 3.385 | [O-]C(=O)COc1ccc(cc1)N2C(=O)CCC2=O |
| SMILES | CACTVS | 3.385 | [O-]C(=O)COc1ccc(cc1)N2C(=O)CCC2=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1N2C(=O)CCC2=O)OCC(=O)[O-] |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1N2C(=O)CCC2=O)OCC(=O)[O-] |
