NFR
Summary
Name: | NI-FE REDUCED ACTIVE CENTER |
Formula: | C3 H2 Fe N Ni O2 |
Formal charge: | 0 |
Formula weight: | 198.592 Da |
Component type: | NON-POLYMER |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 10.04 | diformyl(hydrocyanato-1kappaC)ironnickel(Fe-Ni) |
OpenEye OEToolkits | 1.5.0 | (cyano-dimethanoyl-ferrio)nickel |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | N#C[Fe]([Ni])(C=O)C=O |
SMILES_CANONICAL | CACTVS | 3.341 | [Ni]|[Fe](C=O)(C=O)C#N |
SMILES | CACTVS | 3.341 | [Ni]|[Fe](C=O)(C=O)C#N |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C(=O)[Fe](C=O)(C#N)[Ni] |
SMILES | OpenEye OEToolkits | 1.5.0 | C(=O)[Fe](C=O)(C#N)[Ni] |
InChI | InChI | 1.03 | InChI=1S/CN.2CHO.Fe.Ni/c3*1-2;;/h;2*1H;; |
InChIKey | InChI | 1.03 | WWDMWDTTWHCODG-UHFFFAOYSA-N |