carbon monoxide; cyclopenta-1,3-diene; iron; (2,3,3-tricyano-4-phenyl-but-1-enylidene)azanide

Systemtic Name: carbon monoxide; cyclopenta-1,3-diene; iron; (2,3,3-tricyano-4-phenyl-but-1-enylidene)azanide Openeye Name: carbon monoxide; cyclopenta-1,3-diene; iron; (2,3,3-tricyano-4-phenyl-but-1-enylidene)azanide CAS Name: carbon monoxide; cyclopenta-1,3-diene; iron; (2,3,3-tricyano-4-phenylbut-1-enylidene)azanide IUPAC Name: carbon monoxide; cyclopenta-1,3-diene; iron; (2,3,3-tricyano-4-phenylbut-1-enylidene)azanide Traditional Name: carbon monoxide; cyclopenta-1,3-diene; iron; (2,3,3-tricyano-4-phenyl-but-1-enylidene)azanide Formula: C20H12FeN4O2-2 MolecularWeight: 396.17988

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Descriptors Computed from Structure

Canonical SMILES:

[C-]#[O+].[C-]#[O+].[CH-]1C=CC=C1.C1=CC=C(C=C1)CC(C#N)(C#N)C(=C=[N-])C#N.[Fe]

Isomeric SMILES

[C-]#[O+].[C-]#[O+].[CH-]1C=CC=C1.C1=CC=C(C=C1)CC(C#N)(C#N)C(=C=[N-])C#N.[Fe]

InChI

InChI=1S/C13H7N4.C5H5.2CO.Fe/c14-7-12(8-15)13(9-16,10-17)6-11-4-2-1-3-5-11;1-2-4-5-3-1;2*1-2;/h1-5H,6H2;1-5H;;;/q2*-1;;;