72V
Summary
| Name: | 1-methylindole-2,3-dione |
| Formula: | C9 H7 N O2 |
| Formal charge: | 0 |
| Formula weight: | 161.157 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.5 | 1-methylindole-2,3-dione |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C9H7NO2/c1-10-7-5-3-2-4-6(7)8(11)9(10)12/h2-5H,1H3 |
| InChIKey | InChI | 1.03 | VCYBVWFTGAZHGH-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN1C(=O)C(=O)c2ccccc12 |
| SMILES | CACTVS | 3.385 | CN1C(=O)C(=O)c2ccccc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.5 | CN1c2ccccc2C(=O)C1=O |
| SMILES | OpenEye OEToolkits | 2.0.5 | CN1c2ccccc2C(=O)C1=O |
