EGI
Summary
| Name: | ethyl 5-nitrothiophene-2-carboxylate |
| Formula: | C7 H7 N O4 S |
| Formal charge: | 0 |
| Formula weight: | 201.2 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | ethyl 5-nitrothiophene-2-carboxylate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C7H7NO4S/c1-2-12-7(9)5-3-4-6(13-5)8(10)11/h3-4H,2H2,1H3 |
| InChIKey | InChI | 1.03 | COLIROLDWDCDLN-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCOC(=O)c1sc(cc1)[N+]([O-])=O |
| SMILES | CACTVS | 3.385 | CCOC(=O)c1sc(cc1)[N+]([O-])=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCOC(=O)c1ccc(s1)[N+](=O)[O-] |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCOC(=O)c1ccc(s1)[N+](=O)[O-] |
