ONZ
Summary
| Name: | 2-(1,3-benzodioxol-4-ylcarbonylamino)ethanoic acid |
| Formula: | C10 H9 N O5 |
| Formal charge: | 0 |
| Formula weight: | 223.182 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-(1,3-benzodioxol-4-ylcarbonyl)glycine |
| OpenEye OEToolkits | 1.9.2 | 2-(1,3-benzodioxol-4-ylcarbonylamino)ethanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)CNC(=O)c1cccc2OCOc12 |
| InChI | InChI | 1.03 | InChI=1S/C10H9NO5/c12-8(13)4-11-10(14)6-2-1-3-7-9(6)16-5-15-7/h1-3H,4-5H2,(H,11,14)(H,12,13) |
| InChIKey | InChI | 1.03 | YDSBLSGGADRARS-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)CNC(=O)c1cccc2OCOc12 |
| SMILES | CACTVS | 3.385 | OC(=O)CNC(=O)c1cccc2OCOc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | c1cc(c2c(c1)OCO2)C(=O)NCC(=O)O |
| SMILES | OpenEye OEToolkits | 1.9.2 | c1cc(c2c(c1)OCO2)C(=O)NCC(=O)O |
