cyclopenta-1,3-diene; iron; methyl 2-cyanocyclopenta-2,4-diene-1-carboxylate

Systemtic Name: cyclopenta-1,3-diene; iron; methyl 2-cyanocyclopenta-2,4-diene-1-carboxylate Openeye Name: cyclopenta-1,3-diene; iron; methyl 2-cyanocyclopenta-2,4-diene-1-carboxylate CAS Name: 2-cyano-1-cyclopenta-2,4-dienecarboxylic acid methyl ester; cyclopenta-1,3-diene; iron IUPAC Name: cyclopenta-1,3-diene; iron; methyl 2-cyanocyclopenta-2,4-diene-1-carboxylate Traditional Name: 2-cyanocyclopenta-2,4-diene-1-carboxylic acid methyl ester; cyclopenta-1,3-diene; iron Formula: C13H11FeNO2-2 MolecularWeight: 269.07694

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)[C-]1C=CC=C1C#N.[CH-]1C=CC=C1.[Fe]

Isomeric SMILES

COC(=O)[C-]1C=CC=C1C#N.[CH-]1C=CC=C1.[Fe]

InChI

InChI=1S/C8H6NO2.C5H5.Fe/c1-11-8(10)7-4-2-3-6(7)5-9;1-2-4-5-3-1;/h2-4H,1H3;1-5H;/q2*-1;