copper (2Z)-2-(nitromethylidene)-1-(pyridin-4-ylmethyl)-1,3-diazinane diethanoate

Systemtic Name: copper (2Z)-2-(nitromethylidene)-1-(pyridin-4-ylmethyl)-1,3-diazinane diethanoate Openeye Name: copper (2Z)-2-(nitromethylene)-1-(4-pyridylmethyl)hexahydropyrimidine diacetate CAS Name: copper (2Z)-2-(nitromethylidene)-1-(pyridin-4-ylmethyl)-1,3-diazinane diacetate IUPAC Name: copper (2Z)-2-(nitromethylidene)-1-(pyridin-4-ylmethyl)-1,3-diazinane diacetate Traditional Name: cupric (2Z)-2-(nitromethylene)-1-(4-pyridylmethyl)hexahydropyrimidine diacetate Formula: C15H20CuN4O6 MolecularWeight: 415.8885

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H14N4O2.2C2H4O2.Cu/c16-15(17)9-11-13-4-1-7-14(11)8-10-2-5-12-6-3-10;2*1-2(3)4;/h2-3,5-6,9,13H,1,4,7-8H2;2*1H3,(H,3,4);/q;;;+2/p-2/b11-9-;;;