copper N-(3-nitro-5,10,15,20-tetraphenyl-porphyrin-22,24-diid-2-yl)ethanamide

Systemtic Name: copper N-(3-nitro-5,10,15,20-tetraphenyl-porphyrin-22,24-diid-2-yl)ethanamide Openeye Name: copper N-(3-nitro-5,10,15,20-tetraphenyl-porphyrin-22,24-diid-2-yl)acetamide CAS Name: copper N-(3-nitro-5,10,15,20-tetraphenyl-2-porphyrin-22,24-diidyl)acetamide IUPAC Name: copper N-(3-nitro-5,10,15,20-tetraphenylporphyrin-22,24-diid-2-yl)acetamide Traditional Name: cupric N-(3-nitro-5,10,15,20-tetraphenyl-porphine-22,24-diid-2-yl)acetamide Formula: C46H30CuN6O3 MolecularWeight: 778.3148

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C2=C(C3=CC=C([N-]3)C(=C4C=CC(=N4)C(=C5C=CC(=C(C1=N2)C6=CC=CC=C6)[N-]5)C7=CC=CC=C7)C8=CC=CC=C8)C9=CC=CC=C9)[N+](=O)[O-].[Cu+2]

Isomeric SMILES

CC(=O)NC1=C(C2=C(C3=CC=C([N-]3)C(=C4C=CC(=N4)C(=C5C=CC(=C(C1=N2)C6=CC=CC=C6)[N-]5)C7=CC=CC=C7)C8=CC=CC=C8)C9=CC=CC=C9)[N+](=O)[O-].[Cu+2]

InChI

InChI=1S/C46H31N6O3.Cu/c1-28(53)47-45-43-41(31-18-10-4-11-19-31)37-26-24-35(49-37)39(29-14-6-2-7-15-29)33-22-23-34(48-33)40(30-16-8-3-9-17-30)36-25-27-38(50-36)42(32-20-12-5-13-21-32)44(51-43)46(45)52(54)55;/h2-27H,1H3,(H2-,47,48,49,50,51,53);/q-1;+2/p-1