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 | 12.01 | 4-methoxy-2-nitrobenzonitrile |
OpenEye OEToolkits | 2.0.7 | 4-methoxy-2-nitro-benzenecarbonitrile |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | 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 | 2.0.7 | COc1ccc(c(c1)N(=O)=O)C#N |
SMILES | OpenEye OEToolkits | 2.0.7 | COc1ccc(c(c1)N(=O)=O)C#N |