R5C
Summary
| Name: | (4-nitrophenyl) butanoate |
| Formula: | C10 H11 N O4 |
| Formal charge: | 0 |
| Formula weight: | 209.199 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (4-nitrophenyl) butanoate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C10H11NO4/c1-2-3-10(12)15-9-6-4-8(5-7-9)11(13)14/h4-7H,2-3H2,1H3 |
| InChIKey | InChI | 1.06 | DVDUMIQZEUTAGK-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCCC(=O)Oc1ccc(cc1)[N+]([O-])=O |
| SMILES | CACTVS | 3.385 | CCCC(=O)Oc1ccc(cc1)[N+]([O-])=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCCC(=O)Oc1ccc(cc1)[N+](=O)[O-] |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCCC(=O)Oc1ccc(cc1)[N+](=O)[O-] |
