UOK
Summary
| Name: | 2-(5-methoxy-1~{H}-indol-3-yl)ethanenitrile |
| Formula: | C11 H10 N2 O |
| Formal charge: | 0 |
| Formula weight: | 186.21 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 2-(5-methoxy-1~{H}-indol-3-yl)ethanenitrile |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C11H10N2O/c1-14-9-2-3-11-10(6-9)8(4-5-12)7-13-11/h2-3,6-7,13H,4H2,1H3 |
| InChIKey | InChI | 1.03 | ZBQCXEREMRGOCO-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1ccc2[nH]cc(CC#N)c2c1 |
| SMILES | CACTVS | 3.385 | COc1ccc2[nH]cc(CC#N)c2c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | COc1ccc2c(c1)c(c[nH]2)CC#N |
| SMILES | OpenEye OEToolkits | 2.0.7 | COc1ccc2c(c1)c(c[nH]2)CC#N |
