NS8
Summary
| Name: | trans beta nitrostyrene |
| Formula: | C8 H7 N O2 |
| Formal charge: | 0 |
| Formula weight: | 149.147 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | [(E)-2-nitroethenyl]benzene |
| OpenEye OEToolkits | 1.9.2 | [(E)-2-nitroethenyl]benzene |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | [O-][N+]([C@H]=Cc1ccccc1)=O |
| InChI | InChI | 1.03 | InChI=1S/C8H7NO2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-7H/b7-6+ |
| InChIKey | InChI | 1.03 | PIAOLBVUVDXHHL-VOTSOKGWSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | [O-][N+](=O)/C=C/c1ccccc1 |
| SMILES | CACTVS | 3.385 | [O-][N+](=O)C=Cc1ccccc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | c1ccc(cc1)/C=C/[N+](=O)[O-] |
| SMILES | OpenEye OEToolkits | 1.9.2 | c1ccc(cc1)C=C[N+](=O)[O-] |
