carbon monoxide; dimethyl 1-[(2E,4E)-hexa-2,4-dienoyl]-5-methyl-pyrazole-3,4-dicarboxylate; iron

Systemtic Name: carbon monoxide; dimethyl 1-[(2E,4E)-hexa-2,4-dienoyl]-5-methyl-pyrazole-3,4-dicarboxylate; iron Openeye Name: carbon monoxide; dimethyl 1-[(2E,4E)-hexa-2,4-dienoyl]-5-methyl-pyrazole-3,4-dicarboxylate; iron CAS Name: carbon monoxide; iron; 5-methyl-1-[(2E,4E)-1-oxohexa-2,4-dienyl]pyrazole-3,4-dicarboxylic acid dimethyl ester IUPAC Name: carbon monoxide; dimethyl 1-[(2E,4E)-hexa-2,4-dienoyl]-5-methylpyrazole-3,4-dicarboxylate; iron Traditional Name: carbon monoxide; 1-[(2E,4E)-hexa-2,4-dienoyl]-5-methyl-pyrazole-3,4-dicarboxylic acid dimethyl ester; iron Formula: C17H16FeN2O8 MolecularWeight: 432.16254

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Descriptors Computed from Structure

Canonical SMILES:

CC=CC=CC(=O)N1C(=C(C(=N1)C(=O)OC)C(=O)OC)C.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Fe]

Isomeric SMILES

C/C=C/C=C/C(=O)N1C(=C(C(=N1)C(=O)OC)C(=O)OC)C.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Fe]

InChI

InChI=1S/C14H16N2O5.3CO.Fe/c1-5-6-7-8-10(17)16-9(2)11(13(18)20-3)12(15-16)14(19)21-4;3*1-2;/h5-8H,1-4H3;;;;/b6-5+,8-7+;;;;