cyclopentanecarbaldehyde; (Z)-3-cyclopentyl-2-(4-nitrophenyl)prop-2-enenitrile; iron(2+)

Systemtic Name: cyclopentanecarbaldehyde; (Z)-3-cyclopentyl-2-(4-nitrophenyl)prop-2-enenitrile; iron(2+) Openeye Name: ferrous; cyclopentanecarbaldehyde; (Z)-3-cyclopentyl-2-(4-nitrophenyl)prop-2-enenitrile CAS Name: cyclopentanecarboxaldehyde; (Z)-3-cyclopentyl-2-(4-nitrophenyl)-2-propenenitrile; iron(2+) IUPAC Name: cyclopentanecarbaldehyde; (Z)-3-cyclopentyl-2-(4-nitrophenyl)prop-2-enenitrile; iron(2+) Traditional Name: ferrous; cyclopentanecarbaldehyde; (Z)-3-cyclopentyl-2-(4-nitrophenyl)acrylonitrile Formula: C20H14FeN2O3+2 MolecularWeight: 386.18176

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H9N2O2.C6H5O.Fe/c15-10-13(9-11-3-1-2-4-11)12-5-7-14(8-6-12)16(17)18;7-5-6-3-1-2-4-6;/h1-9H;1-5H;/q;;+2