cyclopentane; iron(2+); methyl 5,5-dicyano-1-cyclopentyl-3-methylidene-cycloheptane-1-carboxylate

Systemtic Name: cyclopentane; iron(2+); methyl 5,5-dicyano-1-cyclopentyl-3-methylidene-cycloheptane-1-carboxylate Openeye Name: ferrous; cyclopentane; methyl 5,5-dicyano-1-cyclopentyl-3-methylene-cycloheptanecarboxylate CAS Name: cyclopentane; 5,5-dicyano-1-cyclopentyl-3-methylene-1-cycloheptanecarboxylic acid methyl ester; iron(2+) IUPAC Name: cyclopentane; iron(2+); methyl 5,5-dicyano-1-cyclopentyl-3-methylidenecycloheptane-1-carboxylate Traditional Name: ferrous; cyclopentane; 5,5-dicyano-1-cyclopentyl-3-methylene-cycloheptanecarboxylic acid methyl ester Formula: C22H22FeN2O2+2 MolecularWeight: 402.26728

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(CCC(CC(=C)C1)(C#N)C#N)[C]2[CH][CH][CH][CH]2.[CH]1[CH][CH][CH][CH]1.[Fe+2]

Isomeric SMILES

COC(=O)C1(CCC(CC(=C)C1)(C#N)C#N)[C]2[CH][CH][CH][CH]2.[CH]1[CH][CH][CH][CH]1.[Fe+2]

InChI

InChI=1S/C17H17N2O2.C5H5.Fe/c1-13-9-16(11-18,12-19)7-8-17(10-13,15(20)21-2)14-5-3-4-6-14;1-2-4-5-3-1;/h3-6H,1,7-10H2,2H3;1-5H;/q;;+2