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

Systemtic Name: copper N-(3-nitro-5,10,15,20-tetraphenyl-porphyrin-22,24-diid-2-yl)methanamide Openeye Name: copper N-(3-nitro-5,10,15,20-tetraphenyl-porphyrin-22,24-diid-2-yl)formamide CAS Name: copper N-(3-nitro-5,10,15,20-tetraphenyl-2-porphyrin-22,24-diidyl)formamide IUPAC Name: copper N-(3-nitro-5,10,15,20-tetraphenylporphyrin-22,24-diid-2-yl)formamide Traditional Name: cupric N-(3-nitro-5,10,15,20-tetraphenyl-porphine-22,24-diid-2-yl)formamide Formula: C45H28CuN6O3 MolecularWeight: 764.28822

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C3C=CC(=C(C4=NC(=C(C5=CC=C([N-]5)C(=C6C=CC2=N6)C7=CC=CC=C7)C8=CC=CC=C8)C(=C4NC=O)[N+](=O)[O-])C9=CC=CC=C9)[N-]3.[Cu+2]

Isomeric SMILES

C1=CC=C(C=C1)C2=C3C=CC(=C(C4=NC(=C(C5=CC=C([N-]5)C(=C6C=CC2=N6)C7=CC=CC=C7)C8=CC=CC=C8)C(=C4NC=O)[N+](=O)[O-])C9=CC=CC=C9)[N-]3.[Cu+2]

InChI

InChI=1S/C45H29N6O3.Cu/c52-27-46-44-42-40(30-17-9-3-10-18-30)36-25-23-34(48-36)38(28-13-5-1-6-14-28)32-21-22-33(47-32)39(29-15-7-2-8-16-29)35-24-26-37(49-35)41(31-19-11-4-12-20-31)43(50-42)45(44)51(53)54;/h1-27H,(H2-,46,47,48,49,50,52);/q-1;+2/p-1