cyclopentane; 2-[(E)-1-cyclopentyl-3-(4-nitrophenyl)prop-2-enylidene]propanedinitrile; iron(2+)

Systemtic Name: cyclopentane; 2-[(E)-1-cyclopentyl-3-(4-nitrophenyl)prop-2-enylidene]propanedinitrile; iron(2+) Openeye Name: ferrous; cyclopentane; 2-[(E)-1-cyclopentyl-3-(4-nitrophenyl)prop-2-enylidene]propanedinitrile CAS Name: cyclopentane; 2-[(E)-1-cyclopentyl-3-(4-nitrophenyl)prop-2-enylidene]propanedinitrile; iron(2+) IUPAC Name: cyclopentane; 2-[(E)-1-cyclopentyl-3-(4-nitrophenyl)prop-2-enylidene]propanedinitrile; iron(2+) Traditional Name: ferrous; cyclopentane; 2-[(E)-1-cyclopentyl-3-(4-nitrophenyl)prop-2-enylidene]malononitrile Formula: C22H15FeN3O2+2 MolecularWeight: 409.2184

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C=CC(=C(C#N)C#N)[C]2[CH][CH][CH][CH]2)[N+](=O)[O-].[CH]1[CH][CH][CH][CH]1.[Fe+2]

Isomeric SMILES

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

InChI

InChI=1S/C17H10N3O2.C5H5.Fe/c18-11-15(12-19)17(14-3-1-2-4-14)10-7-13-5-8-16(9-6-13)20(21)22;1-2-4-5-3-1;/h1-10H;1-5H;/q;;+2/b10-7+;;