copper (2E)-1-[(6-bromanylpyridin-3-yl)methyl]-2-(nitromethylidene)-1,3-diazinane diethanoate

Systemtic Name: copper (2E)-1-[(6-bromanylpyridin-3-yl)methyl]-2-(nitromethylidene)-1,3-diazinane diethanoate Openeye Name: copper (2E)-1-[(6-bromo-3-pyridyl)methyl]-2-(nitromethylene)hexahydropyrimidine diacetate CAS Name: copper (2E)-1-[(6-bromo-3-pyridinyl)methyl]-2-(nitromethylidene)-1,3-diazinane diacetate IUPAC Name: copper (2E)-1-[(6-bromopyridin-3-yl)methyl]-2-(nitromethylidene)-1,3-diazinane diacetate Traditional Name: cupric (2E)-1-[(6-bromo-3-pyridyl)methyl]-2-(nitromethylene)hexahydropyrimidine diacetate Formula: C15H19BrCuN4O6 MolecularWeight: 494.78456

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)[O-].CC(=O)[O-].C1CNC(=C[N+](=O)[O-])N(C1)CC2=CN=C(C=C2)Br.[Cu+2]

Isomeric SMILES

CC(=O)[O-].CC(=O)[O-].C1CN/C(=C\[N+](=O)[O-])/N(C1)CC2=CN=C(C=C2)Br.[Cu+2]

InChI

InChI=1S/C11H13BrN4O2.2C2H4O2.Cu/c12-10-3-2-9(6-14-10)7-15-5-1-4-13-11(15)8-16(17)18;2*1-2(3)4;/h2-3,6,8,13H,1,4-5,7H2;2*1H3,(H,3,4);/q;;;+2/p-2/b11-8+;;;