copper; pyridin-3-ylmethanol; 2-[[3-(trifluoromethyl)phenyl]amino]pyridine-3-carboxylate

Systemtic Name: copper; pyridin-3-ylmethanol; 2-[[3-(trifluoromethyl)phenyl]amino]pyridine-3-carboxylate Openeye Name: copper; 3-pyridylmethanol; 2-[3-(trifluoromethyl)anilino]pyridine-3-carboxylate CAS Name: copper; 3-pyridinylmethanol; 2-[3-(trifluoromethyl)anilino]-3-pyridinecarboxylate IUPAC Name: copper; pyridin-3-ylmethanol; 2-[3-(trifluoromethyl)anilino]pyridine-3-carboxylate Traditional Name: cupric; 3-pyridylmethanol; 2-[3-(trifluoromethyl)anilino]nicotinate Formula: C38H30CuF6N6O6 MolecularWeight: 844.217819

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC2=C(C=CC=N2)C(=O)[O-])C(F)(F)F.C1=CC(=CC(=C1)NC2=C(C=CC=N2)C(=O)[O-])C(F)(F)F.C1=CC(=CN=C1)CO.C1=CC(=CN=C1)CO.[Cu+2]

Isomeric SMILES

C1=CC(=CC(=C1)NC2=C(C=CC=N2)C(=O)[O-])C(F)(F)F.C1=CC(=CC(=C1)NC2=C(C=CC=N2)C(=O)[O-])C(F)(F)F.C1=CC(=CN=C1)CO.C1=CC(=CN=C1)CO.[Cu+2]

InChI

InChI=1S/2C13H9F3N2O2.2C6H7NO.Cu/c2*14-13(15,16)8-3-1-4-9(7-8)18-11-10(12(19)20)5-2-6-17-11;2*8-5-6-2-1-3-7-4-6;/h2*1-7H,(H,17,18)(H,19,20);2*1-4,8H,5H2;/q;;;;+2/p-2