A1BQ1
Summary
| Name: | 7-chloro-4-methoxy-1H-indole-2,3-dione |
| Formula: | C9 H6 Cl N O3 |
| Formal charge: | 0 |
| Formula weight: | 211.602 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | 7-chloro-4-methoxy-1H-indole-2,3-dione |
| OpenEye OEToolkits | 3.1.0.0 | 7-chloranyl-4-methoxy-1~{H}-indole-2,3-dione |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | Clc1ccc(OC)c2c1NC(=O)C2=O |
| InChI | InChI | 1.06 | InChI=1S/C9H6ClNO3/c1-14-5-3-2-4(10)7-6(5)8(12)9(13)11-7/h2-3H,1H3,(H,11,12,13) |
| InChIKey | InChI | 1.06 | DVVWQQZWRTXTMK-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1ccc(Cl)c2NC(=O)C(=O)c12 |
| SMILES | CACTVS | 3.385 | COc1ccc(Cl)c2NC(=O)C(=O)c12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | COc1ccc(c2c1C(=O)C(=O)N2)Cl |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | COc1ccc(c2c1C(=O)C(=O)N2)Cl |
