copper 7-[[(3-nitrophenyl)amino]-phenyl-methyl]quinolin-8-olate

Systemtic Name: copper 7-[[(3-nitrophenyl)amino]-phenyl-methyl]quinolin-8-olate Openeye Name: copper 7-[(3-nitroanilino)-phenyl-methyl]quinolin-8-olate CAS Name: copper 7-[(3-nitroanilino)-phenylmethyl]-8-quinolinolate IUPAC Name: copper 7-[(3-nitroanilino)-phenylmethyl]quinolin-8-olate Traditional Name: cupric 7-[(3-nitroanilino)-phenyl-methyl]quinolin-8-olate Formula: C44H32CuN6O6 MolecularWeight: 804.30748

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C2=C(C3=C(C=CC=N3)C=C2)[O-])NC4=CC(=CC=C4)[N+](=O)[O-].C1=CC=C(C=C1)C(C2=C(C3=C(C=CC=N3)C=C2)[O-])NC4=CC(=CC=C4)[N+](=O)[O-].[Cu+2]

Isomeric SMILES

C1=CC=C(C=C1)C(C2=C(C3=C(C=CC=N3)C=C2)[O-])NC4=CC(=CC=C4)[N+](=O)[O-].C1=CC=C(C=C1)C(C2=C(C3=C(C=CC=N3)C=C2)[O-])NC4=CC(=CC=C4)[N+](=O)[O-].[Cu+2]

InChI

InChI=1S/2C22H17N3O3.Cu/c2*26-22-19(12-11-16-8-5-13-23-21(16)22)20(15-6-2-1-3-7-15)24-17-9-4-10-18(14-17)25(27)28;/h2*1-14,20,24,26H;/q;;+2/p-2