carbon monoxide; iron; methyl 4-azanyl-3-cyclohexa-2,4-dien-1-yl-5-methoxy-benzoate

Systemtic Name: carbon monoxide; iron; methyl 4-azanyl-3-cyclohexa-2,4-dien-1-yl-5-methoxy-benzoate Openeye Name: carbon monoxide; iron; methyl 4-amino-3-cyclohexa-2,4-dien-1-yl-5-methoxy-benzoate CAS Name: 4-amino-3-(1-cyclohexa-2,4-dienyl)-5-methoxybenzoic acid methyl ester; carbon monoxide; iron IUPAC Name: carbon monoxide; iron; methyl 4-amino-3-cyclohexa-2,4-dien-1-yl-5-methoxybenzoate Traditional Name: 4-amino-3-cyclohexa-2,4-dien-1-yl-5-methoxy-benzoic acid methyl ester; carbon monoxide; iron Formula: C18H17FeNO6 MolecularWeight: 399.17568

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1N)C2CC=CC=C2)C(=O)OC.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Fe]

Isomeric SMILES

COC1=CC(=CC(=C1N)C2CC=CC=C2)C(=O)OC.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Fe]

InChI

InChI=1S/C15H17NO3.3CO.Fe/c1-18-13-9-11(15(17)19-2)8-12(14(13)16)10-6-4-3-5-7-10;3*1-2;/h3-6,8-10H,7,16H2,1-2H3;;;;