8XL
Summary
| Name: | 3-[(Z)-2-isocyanoethenyl]-1H-indole |
| Formula: | C11 H8 N2 |
| Formal charge: | 0 |
| Formula weight: | 168.195 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 3-[(Z)-2-isocyanoethenyl]-1H-indole |
| OpenEye OEToolkits | 1.7.6 | 3-[(Z)-2-isocyanoethenyl]-1H-indole |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c2ccc1c([C@H]=[C@H][N+]#[C-])cnc1c2 |
| InChI | InChI | 1.03 | InChI=1S/C11H8N2/c1-12-7-6-9-8-13-11-5-3-2-4-10(9)11/h2-8,13H/b7-6- |
| InChIKey | InChI | 1.03 | JQMYMZZLIOIXEO-SREVYHEPSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | [C-]#[N+]\C=C/c1c[nH]c2ccccc12 |
| SMILES | CACTVS | 3.385 | [C-]#[N+]C=Cc1c[nH]c2ccccc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | [C-]#[N+]/C=C\c1c[nH]c2c1cccc2 |
| SMILES | OpenEye OEToolkits | 1.7.6 | [C-]#[N+]C=Cc1c[nH]c2c1cccc2 |
