WKA
Summary
| Name: | N-(2,1,3-benzoxadiazol-4-yl)acetamide |
| Formula: | C8 H7 N3 O2 |
| Formal charge: | 0 |
| Formula weight: | 177.16 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-(2,1,3-benzoxadiazol-4-yl)acetamide |
| OpenEye OEToolkits | 2.0.7 | ~{N}-(2,1,3-benzoxadiazol-4-yl)ethanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | n2c1c(NC(C)=O)cccc1no2 |
| InChI | InChI | 1.03 | InChI=1S/C8H7N3O2/c1-5(12)9-6-3-2-4-7-8(6)11-13-10-7/h2-4H,1H3,(H,9,12) |
| InChIKey | InChI | 1.03 | JJHRQXVBTBBRGJ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(=O)Nc1cccc2nonc12 |
| SMILES | CACTVS | 3.385 | CC(=O)Nc1cccc2nonc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(=O)Nc1cccc2c1non2 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(=O)Nc1cccc2c1non2 |
