NIE
Summary
| Name: | nitroethane |
| Formula: | C2 H5 N O2 |
| Formal charge: | 0 |
| Formula weight: | 75.067 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | nitroethane |
| OpenEye OEToolkits | 1.5.0 | 1-nitroethane |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | [O-][N+](=O)CC |
| SMILES_CANONICAL | CACTVS | 3.341 | CC[N+]([O-])=O |
| SMILES | CACTVS | 3.341 | CC[N+]([O-])=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CC[N+](=O)[O-] |
| SMILES | OpenEye OEToolkits | 1.5.0 | CC[N+](=O)[O-] |
| InChI | InChI | 1.03 | InChI=1S/C2H5NO2/c1-2-3(4)5/h2H2,1H3 |
| InChIKey | InChI | 1.03 | MCSAJNNLRCFZED-UHFFFAOYSA-N |
