cyclopentane; 4-cyclopentyl-5-dimethoxyphosphoryl-1H-pyrazole-3-carbonitrile; iron(2+)

Systemtic Name: cyclopentane; 4-cyclopentyl-5-dimethoxyphosphoryl-1H-pyrazole-3-carbonitrile; iron(2+) Openeye Name: ferrous; cyclopentane; 4-cyclopentyl-5-dimethoxyphosphoryl-1H-pyrazole-3-carbonitrile CAS Name: cyclopentane; 4-cyclopentyl-5-dimethoxyphosphoryl-1H-pyrazole-3-carbonitrile; iron(2+) IUPAC Name: cyclopentane; 4-cyclopentyl-5-dimethoxyphosphoryl-1H-pyrazole-3-carbonitrile; iron(2+) Traditional Name: ferrous; cyclopentane; 4-cyclopentyl-5-dimethoxyphosphoryl-1H-pyrazole-3-carbonitrile Formula: C16H16FeN3O3P+2 MolecularWeight: 385.135301

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Descriptors Computed from Structure

Canonical SMILES:

COP(=O)(C1=C(C(=NN1)C#N)[C]2[CH][CH][CH][CH]2)OC.[CH]1[CH][CH][CH][CH]1.[Fe+2]

Isomeric SMILES

COP(=O)(C1=C(C(=NN1)C#N)[C]2[CH][CH][CH][CH]2)OC.[CH]1[CH][CH][CH][CH]1.[Fe+2]

InChI

InChI=1S/C11H11N3O3P.C5H5.Fe/c1-16-18(15,17-2)11-10(8-5-3-4-6-8)9(7-12)13-14-11;1-2-4-5-3-1;/h3-6H,1-2H3,(H,13,14);1-5H;/q;;+2