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 | 12.01 | [(1E)-1-nitroprop-1-en-2-yl]benzene |
| OpenEye OEToolkits | 1.7.6 | [(E)-1-nitroprop-1-en-2-yl]benzene |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=N(=O)/C=C(/c1ccccc1)C |
| InChI | InChI | 1.03 | InChI=1S/C9H9NO2/c1-8(7-10(11)12)9-5-3-2-4-6-9/h2-7H,1H3/b8-7+ |
| InChIKey | InChI | 1.03 | KFNFMBKUWFTFAE-BQYQJAHWSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | CC(=C/[N](=O)=O)\c1ccccc1 |
| SMILES | CACTVS | 3.370 | CC(=C[N](=O)=O)c1ccccc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | C/C(=C\N(=O)=O)/c1ccccc1 |
| SMILES | OpenEye OEToolkits | 1.7.6 | CC(=CN(=O)=O)c1ccccc1 |
