3VX
Summary
| Name: | N-(1-oxo-1H-inden-5-yl)acetamide |
| Formula: | C11 H9 N O2 |
| Formal charge: | 0 |
| Formula weight: | 187.195 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-(1-oxo-1H-inden-5-yl)acetamide |
| OpenEye OEToolkits | 1.9.2 | N-(1-oxidanylideneinden-5-yl)ethanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(Nc1cc2c(cc1)C(=O)C=C2)C |
| InChI | InChI | 1.03 | InChI=1S/C11H9NO2/c1-7(13)12-9-3-4-10-8(6-9)2-5-11(10)14/h2-6H,1H3,(H,12,13) |
| InChIKey | InChI | 1.03 | IBLLSZUYVXWELO-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(=O)Nc1ccc2C(=O)C=Cc2c1 |
| SMILES | CACTVS | 3.385 | CC(=O)Nc1ccc2C(=O)C=Cc2c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | CC(=O)Nc1ccc2c(c1)C=CC2=O |
| SMILES | OpenEye OEToolkits | 1.9.2 | CC(=O)Nc1ccc2c(c1)C=CC2=O |
