NYK
Summary
| Name: | [(3S)-2-oxo-2,3-dihydro-1H-indol-3-yl]acetonitrile |
| Formula: | C10 H8 N2 O |
| Formal charge: | 0 |
| Formula weight: | 172.183 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 1.7.6 | 2-[(3S)-2-oxidanylidene-1,3-dihydroindol-3-yl]ethanenitrile |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C(C#N)C1C(Nc2ccccc12)=O |
| InChI | InChI | 1.03 | InChI=1S/C10H8N2O/c11-6-5-8-7-3-1-2-4-9(7)12-10(8)13/h1-4,8H,5H2,(H,12,13)/t8-/m0/s1 |
| InChIKey | InChI | 1.03 | HGYKSFCCBATMSI-QMMMGPOBSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O=C1Nc2ccccc2[C@@H]1CC#N |
| SMILES | CACTVS | 3.385 | O=C1Nc2ccccc2[CH]1CC#N |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1ccc2c(c1)[C@@H](C(=O)N2)CC#N |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1ccc2c(c1)C(C(=O)N2)CC#N |
