C16
Summary
| Name: | 4-(4-methyl-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzonitrile |
| Formula: | C16 H10 N2 O2 |
| Formal charge: | 0 |
| Formula weight: | 262.263 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 4-(4-methyl-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzonitrile |
| OpenEye OEToolkits | 1.5.0 | 4-(4-methyl-1,3-dioxo-isoindol-2-yl)benzonitrile |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | N#Cc1ccc(cc1)N3C(=O)c2cccc(c2C3=O)C |
| SMILES_CANONICAL | CACTVS | 3.341 | Cc1cccc2C(=O)N(c3ccc(cc3)C#N)C(=O)c12 |
| SMILES | CACTVS | 3.341 | Cc1cccc2C(=O)N(c3ccc(cc3)C#N)C(=O)c12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | Cc1cccc2c1C(=O)N(C2=O)c3ccc(cc3)C#N |
| SMILES | OpenEye OEToolkits | 1.5.0 | Cc1cccc2c1C(=O)N(C2=O)c3ccc(cc3)C#N |
| InChI | InChI | 1.03 | InChI=1S/C16H10N2O2/c1-10-3-2-4-13-14(10)16(20)18(15(13)19)12-7-5-11(9-17)6-8-12/h2-8H,1H3 |
| InChIKey | InChI | 1.03 | MVYDBJXCIFMINH-UHFFFAOYSA-N |
