ISN
Summary
| Name: | ISATIN |
| Formula: | C8 H5 N O2 |
| Formal charge: | 0 |
| Formula weight: | 147.131 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 1H-indole-2,3-dione |
| OpenEye OEToolkits | 1.5.0 | 1H-indole-2,3-dione |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C2c1ccccc1NC2=O |
| SMILES_CANONICAL | CACTVS | 3.341 | O=C1Nc2ccccc2C1=O |
| SMILES | CACTVS | 3.341 | O=C1Nc2ccccc2C1=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1ccc2c(c1)C(=O)C(=O)N2 |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1ccc2c(c1)C(=O)C(=O)N2 |
| InChI | InChI | 1.03 | InChI=1S/C8H5NO2/c10-7-5-3-1-2-4-6(5)9-8(7)11/h1-4H,(H,9,10,11) |
| InChIKey | InChI | 1.03 | JXDYKVIHCLTXOP-UHFFFAOYSA-N |
