0N7
Summary
| Name: | 2-hydroxyisoquinoline-1,3(2H,4H)-dione |
| Formula: | C9 H7 N O3 |
| Formal charge: | 0 |
| Formula weight: | 177.157 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2-hydroxyisoquinoline-1,3(2H,4H)-dione |
| OpenEye OEToolkits | 1.7.6 | 2-oxidanyl-4H-isoquinoline-1,3-dione |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C2c1c(cccc1)CC(=O)N2O |
| InChI | InChI | 1.03 | InChI=1S/C9H7NO3/c11-8-5-6-3-1-2-4-7(6)9(12)10(8)13/h1-4,13H,5H2 |
| InChIKey | InChI | 1.03 | ZXAICCBFIBBVAR-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | ON1C(=O)Cc2ccccc2C1=O |
| SMILES | CACTVS | 3.370 | ON1C(=O)Cc2ccccc2C1=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1ccc2c(c1)CC(=O)N(C2=O)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1ccc2c(c1)CC(=O)N(C2=O)O |
