iron(2+); N-(4-nitro-2-propan-2-yl-phenyl)ethanimine; N-(4-nitro-2-propan-2-yl-phenyl)-1-pyridin-3-yl-ethanimine; chloride

Systemtic Name: iron(2+); N-(4-nitro-2-propan-2-yl-phenyl)ethanimine; N-(4-nitro-2-propan-2-yl-phenyl)-1-pyridin-3-yl-ethanimine; chloride Openeye Name: ferrous; N-(2-isopropyl-4-nitro-phenyl)ethanimine; N-(2-isopropyl-4-nitro-phenyl)-1-(3-pyridyl)ethanimine; chloride CAS Name: iron(2+); N-(4-nitro-2-propan-2-ylphenyl)ethanimine; N-(4-nitro-2-propan-2-ylphenyl)-1-(3-pyridinyl)ethanimine; chloride IUPAC Name: iron(2+); N-(4-nitro-2-propan-2-ylphenyl)ethanimine; N-(4-nitro-2-propan-2-ylphenyl)-1-pyridin-3-ylethanimine; chloride Traditional Name: ferrous; ethylidene-(2-isopropyl-4-nitro-phenyl)amine; (2-isopropyl-4-nitro-phenyl)-[1-(3-pyridyl)ethylidene]amine; chloride Formula: C27H30ClFeN5O4 MolecularWeight: 579.8562

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Descriptors Computed from Structure

Canonical SMILES:

C[C-]=NC1=C(C=C(C=C1)[N+](=O)[O-])C(C)C.CC(C)C1=C(C=CC(=C1)[N+](=O)[O-])N=C(C)C2=CN=CC=C2.[Cl-].[Fe+2]

Isomeric SMILES

C[C-]=NC1=C(C=C(C=C1)[N+](=O)[O-])C(C)C.CC(C)C1=C(C=CC(=C1)[N+](=O)[O-])N=C(C)C2=CN=CC=C2.[Cl-].[Fe+2]

InChI

InChI=1S/C16H17N3O2.C11H13N2O2.ClH.Fe/c1-11(2)15-9-14(19(20)21)6-7-16(15)18-12(3)13-5-4-8-17-10-13;1-4-12-11-6-5-9(13(14)15)7-10(11)8(2)3;;/h4-11H,1-3H3;5-8H,1-3H3;1H;/q;-1;;+2/p-1