(Z)-3-cyclopentyl-2-(4-nitrophenyl)prop-2-enenitrile; iron(2+); methyl (E)-2-cyano-3-cyclopentyl-prop-2-enoate

Systemtic Name: (Z)-3-cyclopentyl-2-(4-nitrophenyl)prop-2-enenitrile; iron(2+); methyl (E)-2-cyano-3-cyclopentyl-prop-2-enoate Openeye Name: ferrous; (Z)-3-cyclopentyl-2-(4-nitrophenyl)prop-2-enenitrile; methyl (E)-2-cyano-3-cyclopentyl-prop-2-enoate CAS Name: (E)-2-cyano-3-cyclopentyl-2-propenoic acid methyl ester; (Z)-3-cyclopentyl-2-(4-nitrophenyl)-2-propenenitrile; iron(2+) IUPAC Name: (Z)-3-cyclopentyl-2-(4-nitrophenyl)prop-2-enenitrile; iron(2+); methyl (E)-2-cyano-3-cyclopentylprop-2-enoate Traditional Name: ferrous; (E)-2-cyano-3-cyclopentyl-acrylic acid methyl ester; (Z)-3-cyclopentyl-2-(4-nitrophenyl)acrylonitrile Formula: C24H17FeN3O4+2 MolecularWeight: 467.25448

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H9N2O2.C10H8NO2.Fe/c15-10-13(9-11-3-1-2-4-11)12-5-7-14(8-6-12)16(17)18;1-13-10(12)9(7-11)6-8-4-2-3-5-8;/h1-9H;2-6H,1H3;/q;;+2