carbon monoxide; iron; methyl 3-(1-cyano-4-methoxy-cyclohexa-2,4-dien-1-yl)propanoate

Systemtic Name: carbon monoxide; iron; methyl 3-(1-cyano-4-methoxy-cyclohexa-2,4-dien-1-yl)propanoate Openeye Name: carbon monoxide; iron; methyl 3-(1-cyano-4-methoxy-cyclohexa-2,4-dien-1-yl)propanoate CAS Name: carbon monoxide; 3-(1-cyano-4-methoxy-1-cyclohexa-2,4-dienyl)propanoic acid methyl ester; iron IUPAC Name: carbon monoxide; iron; methyl 3-(1-cyano-4-methoxycyclohexa-2,4-dien-1-yl)propanoate Traditional Name: carbon monoxide; 3-(1-cyano-4-methoxy-cyclohexa-2,4-dien-1-yl)propionic acid methyl ester; iron Formula: C15H15FeNO6 MolecularWeight: 361.1277

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CCC(C=C1)(CCC(=O)OC)C#N.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Fe]

Isomeric SMILES

COC1=CCC(C=C1)(CCC(=O)OC)C#N.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Fe]

InChI

InChI=1S/C12H15NO3.3CO.Fe/c1-15-10-3-6-12(9-13,7-4-10)8-5-11(14)16-2;3*1-2;/h3-4,6H,5,7-8H2,1-2H3;;;;