U8N
Summary
| Name: | 4-oxidanyl-2~{H}-isoquinolin-1-one |
| Formula: | C9 H7 N O2 |
| Formal charge: | 0 |
| Formula weight: | 161.157 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 4-oxidanyl-2~{H}-isoquinolin-1-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C9H7NO2/c11-8-5-10-9(12)7-4-2-1-3-6(7)8/h1-5,11H,(H,10,12) |
| InChIKey | InChI | 1.03 | KOJRWXLHYKLCFJ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC1=CNC(=O)c2ccccc12 |
| SMILES | CACTVS | 3.385 | OC1=CNC(=O)c2ccccc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)C(=CNC2=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)C(=CNC2=O)O |
