copper (NE,4Z)-N-[(3-fluoranyl-4-methoxy-phenyl)methylidene]pyridine-4-carbohydrazonate dihydrate

Systemtic Name: copper (NE,4Z)-N-[(3-fluoranyl-4-methoxy-phenyl)methylidene]pyridine-4-carbohydrazonate dihydrate Openeye Name: copper (NE,4Z)-N-[(3-fluoro-4-methoxy-phenyl)methylene]pyridine-4-carbohydrazonate dihydrate CAS Name: copper (NE,4Z)-N-[(3-fluoro-4-methoxyphenyl)methylidene]-4-pyridinecarbohydrazonate dihydrate IUPAC Name: copper (NE,4Z)-N-[(3-fluoro-4-methoxyphenyl)methylidene]pyridine-4-carbohydrazonate dihydrate Traditional Name: cupric (NE,4Z)-N-(3-fluoro-4-methoxy-benzylidene)pyridine-4-carbohydrazonate dihydrate Formula: C28H26CuF2N6O6 MolecularWeight: 644.085446

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=NN=C(C2=CC=NC=C2)[O-])F.COC1=C(C=C(C=C1)C=NN=C(C2=CC=NC=C2)[O-])F.O.O.[Cu+2]

Isomeric SMILES

COC1=C(C=C(C=C1)/C=N/N=C(\[O-])/C2=CC=NC=C2)F.COC1=C(C=C(C=C1)/C=N/N=C(\[O-])/C2=CC=NC=C2)F.O.O.[Cu+2]

InChI

InChI=1S/2C14H12FN3O2.Cu.2H2O/c2*1-20-13-3-2-10(8-12(13)15)9-17-18-14(19)11-4-6-16-7-5-11;;;/h2*2-9H,1H3,(H,18,19);;2*1H2/q;;+2;;/p-2/b2*17-9+;;;