cyclopentane; (2R,3S)-2-cyclopentylcarbonyl-3-phenyl-cyclopropane-1,1-dicarbonitrile; iron(2+)

Systemtic Name: cyclopentane; (2R,3S)-2-cyclopentylcarbonyl-3-phenyl-cyclopropane-1,1-dicarbonitrile; iron(2+) Openeye Name: ferrous; cyclopentane; (2R,3S)-2-(cyclopentanecarbonyl)-3-phenyl-cyclopropane-1,1-dicarbonitrile CAS Name: cyclopentane; (2R,3S)-2-[cyclopentyl(oxo)methyl]-3-phenylcyclopropane-1,1-dicarbonitrile; iron(2+) IUPAC Name: cyclopentane; (2R,3S)-2-(cyclopentanecarbonyl)-3-phenylcyclopropane-1,1-dicarbonitrile; iron(2+) Traditional Name: ferrous; cyclopentane; (2R,3S)-2-(cyclopentanecarbonyl)-3-phenyl-cyclopropane-1,1-dicarbonitrile Formula: C22H16FeN2O+2 MolecularWeight: 380.22024

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2C(C2(C#N)C#N)C(=O)[C]3[CH][CH][CH][CH]3.[CH]1[CH][CH][CH][CH]1.[Fe+2]

Isomeric SMILES

C1=CC=C(C=C1)[C@@H]2[C@H](C2(C#N)C#N)C(=O)[C]3[CH][CH][CH][CH]3.[CH]1[CH][CH][CH][CH]1.[Fe+2]

InChI

InChI=1S/C17H11N2O.C5H5.Fe/c18-10-17(11-19)14(12-6-2-1-3-7-12)15(17)16(20)13-8-4-5-9-13;1-2-4-5-3-1;/h1-9,14-15H;1-5H;/q;;+2/t14-,15+;;/m1../s1