15C
Summary
| Name: | 2-(4-acetylphenyl)-4-methyl-1H-isoindole-1,3(2H)-dione |
| Formula: | C17 H13 N O3 |
| Formal charge: | 0 |
| Formula weight: | 279.29 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 11.02 | 2-(4-acetylphenyl)-4-methyl-1H-isoindole-1,3(2H)-dione |
| OpenEye OEToolkits | 1.6.1 | 2-(4-ethanoylphenyl)-4-methyl-isoindole-1,3-dione |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 11.02 | O=C(c1ccc(cc1)N3C(=O)c2cccc(c2C3=O)C)C |
| SMILES_CANONICAL | CACTVS | 3.352 | CC(=O)c1ccc(cc1)N2C(=O)c3cccc(C)c3C2=O |
| SMILES | CACTVS | 3.352 | CC(=O)c1ccc(cc1)N2C(=O)c3cccc(C)c3C2=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | Cc1cccc2c1C(=O)N(C2=O)c3ccc(cc3)C(=O)C |
| SMILES | OpenEye OEToolkits | 1.7.0 | Cc1cccc2c1C(=O)N(C2=O)c3ccc(cc3)C(=O)C |
| InChI | InChI | 1.03 | InChI=1S/C17H13NO3/c1-10-4-3-5-14-15(10)17(21)18(16(14)20)13-8-6-12(7-9-13)11(2)19/h3-9H,1-2H3 |
| InChIKey | InChI | 1.03 | RQFQRVRMHYMTAU-UHFFFAOYSA-N |
