TZH
Summary
| Name: | (5-methyl-2-nitro-phenyl) cyclobutanecarboxylate |
| Formula: | C12 H14 N O4 |
| Formal charge: | 1 |
| Formula weight: | 236.244 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (2-cyclobutylcarbonyloxy-4-methyl-phenyl)-oxidanyl-oxidanylidene-azanium |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C12H14NO4/c1-8-5-6-10(13(15)16)11(7-8)17-12(14)9-3-2-4-9/h5-7,9H,2-4H2,1H3,(H,15,16)/q+1 |
| InChIKey | InChI | 1.03 | ZPGMMHOSQRVFJE-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1ccc(c(OC(=O)C2CCC2)c1)[N+](O)=O |
| SMILES | CACTVS | 3.385 | Cc1ccc(c(OC(=O)C2CCC2)c1)[N+](O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1ccc(c(c1)OC(=O)C2CCC2)[N+](=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1ccc(c(c1)OC(=O)C2CCC2)[N+](=O)O |
