VTH
Summary
| Name: | 4-methoxy-2-nitrobenzonitrile |
| Formula: | C8 H6 N2 O3 |
| Formal charge: | 0 |
| Formula weight: | 178.145 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | 4-methoxy-2-nitrobenzonitrile |
| OpenEye OEToolkits | 3.1.0.0 | 4-methoxy-2-nitro-benzenecarbonitrile |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | COc1ccc(C#N)c(c1)[N+]([O-])=O |
| InChI | InChI | 1.06 | InChI=1S/C8H6N2O3/c1-13-7-3-2-6(5-9)8(4-7)10(11)12/h2-4H,1H3 |
| InChIKey | InChI | 1.06 | UUYPUFCWSUBTFP-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1ccc(C#N)c(c1)[N+]([O-])=O |
| SMILES | CACTVS | 3.385 | COc1ccc(C#N)c(c1)[N+]([O-])=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | COc1ccc(c(c1)[N+](=O)[O-])C#N |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | COc1ccc(c(c1)[N+](=O)[O-])C#N |
