K4V
Summary
| Name: | 4-nitrophenyl acetate |
| Synonyms: | P-NITROPHENYL ACETATE |
| Formula: | C8 H7 N O4 |
| Formal charge: | 0 |
| Formula weight: | 181.145 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 4-nitrophenyl acetate |
| OpenEye OEToolkits | 2.0.6 | (4-nitrophenyl) ethanoate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c1(ccc(OC(=O)C)cc1)[N+]([O-])=O |
| InChI | InChI | 1.03 | InChI=1S/C8H7NO4/c1-6(10)13-8-4-2-7(3-5-8)9(11)12/h2-5H,1H3 |
| InChIKey | InChI | 1.03 | QAUUDNIGJSLPSX-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(=O)Oc1ccc(cc1)[N+]([O-])=O |
| SMILES | CACTVS | 3.385 | CC(=O)Oc1ccc(cc1)[N+]([O-])=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CC(=O)Oc1ccc(cc1)[N+](=O)[O-] |
| SMILES | OpenEye OEToolkits | 2.0.6 | CC(=O)Oc1ccc(cc1)[N+](=O)[O-] |
