NFC
Summary
| Name: | NI-FE ACTIVE CENTER A-FORM |
| Formula: | C3 H2 Fe N Ni O4 |
| Formal charge: | 0 |
| Formula weight: | 230.591 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | cyano-dimethanoyl-[nickelio(oxidanylidene)-$l^{4}-oxidanyl]iron |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/CN.2CHO.Fe.Ni.O2/c3*1-2;;;1-2/h;2*1H;;; |
| InChIKey | InChI | 1.06 | CIUCFLVMTAQNSJ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | [Ni][O](=O)[Fe@](C=O)(C=O)C#N |
| SMILES | CACTVS | 3.385 | [Ni][O](=O)[Fe](C=O)(C=O)C#N |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C(=O)[Fe](C=O)(C#N)O(=O)[Ni] |
| SMILES | OpenEye OEToolkits | 2.0.7 | C(=O)[Fe](C=O)(C#N)O(=O)[Ni] |
