A1CBI
Summary
| Name: | 1-[5-[oxidanyl(oxidanylidene)-$l^{4}-azanyl]-2,3-dihydroindol-1-yl]ethanone |
| Formula: | C10 H10 N2 O3 |
| Formal charge: | 0 |
| Formula weight: | 206.198 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | 1-(5-nitro-2,3-dihydro-1H-indol-1-yl)ethan-1-one |
| OpenEye OEToolkits | 3.1.0.0 | 1-(5-nitro-2,3-dihydroindol-1-yl)ethanone |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | [O-][N+](=O)c1cc2CCN(c2cc1)C(C)=O |
| InChI | InChI | 1.06 | InChI=1S/C10H10N2O3/c1-7(13)11-5-4-8-6-9(12(14)15)2-3-10(8)11/h2-3,6H,4-5H2,1H3 |
| InChIKey | InChI | 1.06 | OJKKTNFCWMBYMT-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(=O)N1CCc2cc(ccc12)[N+]([O-])=O |
| SMILES | CACTVS | 3.385 | CC(=O)N1CCc2cc(ccc12)[N+]([O-])=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | CC(=O)N1CCc2c1ccc(c2)[N+](=O)[O-] |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | CC(=O)N1CCc2c1ccc(c2)[N+](=O)[O-] |
