copper; methyl N-(1H-benzimidazol-2-yl)carbamate; quinolin-8-olate

Systemtic Name: copper; methyl N-(1H-benzimidazol-2-yl)carbamate; quinolin-8-olate Openeye Name: copper; methyl N-(1H-benzimidazol-2-yl)carbamate; quinolin-8-olate CAS Name: copper; N-(1H-benzimidazol-2-yl)carbamic acid methyl ester; 8-quinolinolate IUPAC Name: copper; methyl N-(1H-benzimidazol-2-yl)carbamate; quinolin-8-olate Traditional Name: cupric; N-(1H-benzimidazol-2-yl)carbamic acid methyl ester; quinolin-8-olate Formula: C27H21CuN5O4 MolecularWeight: 543.03274

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)NC1=NC2=CC=CC=C2N1.C1=CC2=C(C(=C1)[O-])N=CC=C2.C1=CC2=C(C(=C1)[O-])N=CC=C2.[Cu+2]

Isomeric SMILES

COC(=O)NC1=NC2=CC=CC=C2N1.C1=CC2=C(C(=C1)[O-])N=CC=C2.C1=CC2=C(C(=C1)[O-])N=CC=C2.[Cu+2]

InChI

InChI=1S/C9H9N3O2.2C9H7NO.Cu/c1-14-9(13)12-8-10-6-4-2-3-5-7(6)11-8;2*11-8-5-1-3-7-4-2-6-10-9(7)8;/h2-5H,1H3,(H2,10,11,12,13);2*1-6,11H;/q;;;+2/p-2