2AK
Summary
| Name: | 7-bromo-5-methyl-1H-indole-2,3-dione |
| Formula: | C9 H6 Br N O2 |
| Formal charge: | 0 |
| Formula weight: | 240.053 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 7-bromo-5-methyl-1H-indole-2,3-dione |
| OpenEye OEToolkits | 1.7.6 | 7-bromanyl-5-methyl-1H-indole-2,3-dione |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Brc1cc(cc2c1NC(=O)C2=O)C |
| InChI | InChI | 1.03 | InChI=1S/C9H6BrNO2/c1-4-2-5-7(6(10)3-4)11-9(13)8(5)12/h2-3H,1H3,(H,11,12,13) |
| InChIKey | InChI | 1.03 | NPDJRIGMWAQKTQ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | Cc1cc(Br)c2NC(=O)C(=O)c2c1 |
| SMILES | CACTVS | 3.370 | Cc1cc(Br)c2NC(=O)C(=O)c2c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | Cc1cc2c(c(c1)Br)NC(=O)C2=O |
| SMILES | OpenEye OEToolkits | 1.7.6 | Cc1cc2c(c(c1)Br)NC(=O)C2=O |
