N9M
Summary
| Name: | benzyl (carboxyoxy)carbamate |
| Formula: | C9 H9 N O5 |
| Formal charge: | 0 |
| Formula weight: | 211.171 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | benzyl (carboxyoxy)carbamate |
| OpenEye OEToolkits | 2.0.7 | phenylmethoxycarbonylamino hydrogen carbonate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c1cccc(c1)COC(=O)NOC(O)=O |
| InChI | InChI | 1.03 | InChI=1S/C9H9NO5/c11-8(10-15-9(12)13)14-6-7-4-2-1-3-5-7/h1-5H,6H2,(H,10,11)(H,12,13) |
| InChIKey | InChI | 1.03 | DUVYLXOFESFFPT-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)ONC(=O)OCc1ccccc1 |
| SMILES | CACTVS | 3.385 | OC(=O)ONC(=O)OCc1ccccc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)COC(=O)NOC(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)COC(=O)NOC(=O)O |
