carbon monoxide; iron; methyl (Z)-5-[(3-methoxycyclohexa-1,3-dien-1-yl)carbonyl-phenyl-amino]pent-2-enoate

Systemtic Name: carbon monoxide; iron; methyl (Z)-5-[(3-methoxycyclohexa-1,3-dien-1-yl)carbonyl-phenyl-amino]pent-2-enoate Openeye Name: carbon monoxide; iron; methyl (Z)-5-(N-(3-methoxycyclohexa-1,3-diene-1-carbonyl)anilino)pent-2-enoate CAS Name: carbon monoxide; iron; (Z)-5-(N-[(3-methoxy-1-cyclohexa-1,3-dienyl)-oxomethyl]anilino)-2-pentenoic acid methyl ester IUPAC Name: carbon monoxide; iron; methyl (Z)-5-(N-(3-methoxycyclohexa-1,3-diene-1-carbonyl)anilino)pent-2-enoate Traditional Name: carbon monoxide; iron; (Z)-5-(N-(3-methoxycyclohexa-1,3-diene-1-carbonyl)anilino)pent-2-enoic acid methyl ester Formula: C23H23FeNO7 MolecularWeight: 481.27622

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CCCC(=C1)C(=O)N(CCC=CC(=O)OC)C2=CC=CC=C2.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Fe]

Isomeric SMILES

COC1=CCCC(=C1)C(=O)N(CC/C=C\C(=O)OC)C2=CC=CC=C2.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Fe]

InChI

InChI=1S/C20H23NO4.3CO.Fe/c1-24-18-12-8-9-16(15-18)20(23)21(17-10-4-3-5-11-17)14-7-6-13-19(22)25-2;3*1-2;/h3-6,10-13,15H,7-9,14H2,1-2H3;;;;/b13-6-;;;;