D8F
Summary
| Name: | (4-nitrophenyl) hexanoate |
| Formula: | C12 H15 N O4 |
| Formal charge: | 0 |
| Formula weight: | 237.252 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (4-nitrophenyl) hexanoate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C12H15NO4/c1-2-3-4-5-12(14)17-11-8-6-10(7-9-11)13(15)16/h6-9H,2-5H2,1H3 |
| InChIKey | InChI | 1.03 | OLRXUEYZKCCEKK-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCCCCC(=O)Oc1ccc(cc1)[N+]([O-])=O |
| SMILES | CACTVS | 3.385 | CCCCCC(=O)Oc1ccc(cc1)[N+]([O-])=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCCCCC(=O)Oc1ccc(cc1)[N+](=O)[O-] |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCCCCC(=O)Oc1ccc(cc1)[N+](=O)[O-] |
