XEA
Summary
| Name: | (3R)-1,2-oxazolidine-3-carbonitrile |
| Formula: | C4 H6 N2 O |
| Formal charge: | 0 |
| Formula weight: | 98.103 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (3R)-1,2-oxazolidine-3-carbonitrile |
| OpenEye OEToolkits | 2.0.7 | (3~{S})-1,2-oxazolidine-3-carbonitrile |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | N#CC1NOCC1 |
| InChI | InChI | 1.03 | InChI=1S/C4H6N2O/c5-3-4-1-2-7-6-4/h4,6H,1-2H2 |
| InChIKey | InChI | 1.03 | NPVKKLZPJHCXFQ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | N#C[C@@H]1CCON1 |
| SMILES | CACTVS | 3.385 | N#C[CH]1CCON1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C1CON[C@@H]1C#N |
| SMILES | OpenEye OEToolkits | 2.0.7 | C1CONC1C#N |
