TZH
Summary
| Name: | 5-methyl-2-nitrophenyl cyclobutanecarboxylate |
| Formula: | C12 H13 N O4 |
| Formal charge: | 0 |
| Formula weight: | 235.236 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | 5-methyl-2-nitrophenyl cyclobutanecarboxylate |
| OpenEye OEToolkits | 3.1.0.0 | (5-methyl-2-nitro-phenyl) cyclobutanecarboxylate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | [O-][N+](=O)c1ccc(C)cc1OC(=O)C1CCC1 |
| InChI | InChI | 1.06 | InChI=1S/C12H13NO4/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 |
| InChIKey | InChI | 1.06 | RHMNGGSZVAEPTQ-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 | 3.1.0.0 | Cc1ccc(c(c1)OC(=O)C2CCC2)[N+](=O)[O-] |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | Cc1ccc(c(c1)OC(=O)C2CCC2)[N+](=O)[O-] |
