iron(2+); (NE,1Z)-N-(1-pyrazin-2-ylethylidene)-4-(trifluoromethyl)benzenecarbohydrazonate

Systemtic Name: iron(2+); (NE,1Z)-N-(1-pyrazin-2-ylethylidene)-4-(trifluoromethyl)benzenecarbohydrazonate Openeye Name: ferrous (NE,1Z)-N-(1-pyrazin-2-ylethylidene)-4-(trifluoromethyl)benzenecarbohydrazonate CAS Name: iron(2+); (NE,1Z)-N-[1-(2-pyrazinyl)ethylidene]-4-(trifluoromethyl)benzenecarbohydrazonate IUPAC Name: iron(2+); (NE,1Z)-N-(1-pyrazin-2-ylethylidene)-4-(trifluoromethyl)benzenecarbohydrazonate Traditional Name: ferrous (NE,1Z)-N-(1-pyrazin-2-ylethylidene)-4-(trifluoromethyl)benzenecarbohydrazonate Formula: C28H20F6FeN8O2 MolecularWeight: 670.346219

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NN=C(C1=CC=C(C=C1)C(F)(F)F)[O-])C2=NC=CN=C2.CC(=NN=C(C1=CC=C(C=C1)C(F)(F)F)[O-])C2=NC=CN=C2.[Fe+2]

Isomeric SMILES

C/C(=N\N=C(/[O-])\C1=CC=C(C=C1)C(F)(F)F)/C2=NC=CN=C2.C/C(=N\N=C(/[O-])\C1=CC=C(C=C1)C(F)(F)F)/C2=NC=CN=C2.[Fe+2]

InChI

InChI=1S/2C14H11F3N4O.Fe/c2*1-9(12-8-18-6-7-19-12)20-21-13(22)10-2-4-11(5-3-10)14(15,16)17;/h2*2-8H,1H3,(H,21,22);/q;;+2/p-2/b2*20-9+;