VJ9
Summary
| Name: | ethyl 4-fluoro-3-nitrobenzoate |
| Formula: | C9 H8 F N O4 |
| Formal charge: | 0 |
| Formula weight: | 213.163 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | ethyl 4-fluoro-3-nitrobenzoate |
| OpenEye OEToolkits | 2.0.7 | ethyl 4-fluoranyl-3-nitro-benzoate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Fc1ccc(cc1N(=O)=O)C(=O)OCC |
| InChI | InChI | 1.06 | InChI=1S/C9H8FNO4/c1-2-15-9(12)6-3-4-7(10)8(5-6)11(13)14/h3-5H,2H2,1H3 |
| InChIKey | InChI | 1.06 | YONVBKVUSUGBQR-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCOC(=O)c1ccc(F)c(c1)[N](=O)=O |
| SMILES | CACTVS | 3.385 | CCOC(=O)c1ccc(F)c(c1)[N](=O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCOC(=O)c1ccc(c(c1)N(=O)=O)F |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCOC(=O)c1ccc(c(c1)N(=O)=O)F |
