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

Systemtic Name: carbon monoxide; iron; methyl 2-(1-cyano-4-methoxy-cyclohexa-2,4-dien-1-yl)ethanoate Openeye Name: carbon monoxide; iron; methyl 2-(1-cyano-4-methoxy-cyclohexa-2,4-dien-1-yl)acetate CAS Name: carbon monoxide; 2-(1-cyano-4-methoxy-1-cyclohexa-2,4-dienyl)acetic acid methyl ester; iron IUPAC Name: carbon monoxide; iron; methyl 2-(1-cyano-4-methoxycyclohexa-2,4-dien-1-yl)acetate Traditional Name: carbon monoxide; 2-(1-cyano-4-methoxy-cyclohexa-2,4-dien-1-yl)acetic acid methyl ester; iron Formula: C14H13FeNO6 MolecularWeight: 347.10112

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H13NO3.3CO.Fe/c1-14-9-3-5-11(8-12,6-4-9)7-10(13)15-2;3*1-2;/h3-5H,6-7H2,1-2H3;;;;