SOV
Summary
| Name: | 5-[2,5-bis(oxidanylidene)pyrrol-1-yl]-2-methyl-benzenecarbonitrile |
| Formula: | C12 H8 N2 O2 |
| Formal charge: | 0 |
| Formula weight: | 212.204 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | 5-[2,5-bis(oxidanylidene)pyrrol-1-yl]-2-methyl-benzenecarbonitrile |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C12H8N2O2/c1-8-2-3-10(6-9(8)7-13)14-11(15)4-5-12(14)16/h2-6H,1H3 |
| InChIKey | InChI | 1.03 | USWFOGGKPGXVBB-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1ccc(cc1C#N)N2C(=O)C=CC2=O |
| SMILES | CACTVS | 3.385 | Cc1ccc(cc1C#N)N2C(=O)C=CC2=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | Cc1ccc(cc1C#N)N2C(=O)C=CC2=O |
| SMILES | OpenEye OEToolkits | 2.0.6 | Cc1ccc(cc1C#N)N2C(=O)C=CC2=O |
