1L5
Summary
| Name: | [(1E)-1-nitroprop-1-en-2-yl]benzene |
| Formula: | C9 H9 N O2 |
| Formal charge: | 0 |
| Formula weight: | 163.173 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | [(1E)-1-nitroprop-1-en-2-yl]benzene |
| OpenEye OEToolkits | 3.1.0.0 | [(~{E})-1-nitroprop-1-en-2-yl]benzene |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | C\C(=C/[N+]([O-])=O)c1ccccc1 |
| InChI | InChI | 1.06 | InChI=1S/C9H9NO2/c1-8(7-10(11)12)9-5-3-2-4-6-9/h2-7H,1H3/b8-7+ |
| InChIKey | InChI | 1.06 | KFNFMBKUWFTFAE-BQYQJAHWSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(=C/[N+]([O-])=O)\c1ccccc1 |
| SMILES | CACTVS | 3.385 | CC(=C[N+]([O-])=O)c1ccccc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | C/C(=C\[N+](=O)[O-])/c1ccccc1 |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | CC(=C[N+](=O)[O-])c1ccccc1 |
