2-methyl-3-nitro-5,10,15,20-tetraphenyl-2,3-dihydroporphyrin-22,24-diide; nickel(2+)

Systemtic Name: 2-methyl-3-nitro-5,10,15,20-tetraphenyl-2,3-dihydroporphyrin-22,24-diide; nickel(2+) Openeye Name: nickelous 2-methyl-3-nitro-5,10,15,20-tetraphenyl-2,3-dihydroporphyrin-22,24-diide CAS Name: 2-methyl-3-nitro-5,10,15,20-tetraphenyl-2,3-dihydroporphyrin-22,24-diide; nickel(2+) IUPAC Name: 2-methyl-3-nitro-5,10,15,20-tetraphenyl-2,3-dihydroporphyrin-22,24-diide; nickel(2+) Traditional Name: nickelous 2-methyl-3-nitro-5,10,15,20-tetraphenyl-2,3-dihydroporphine-22,24-diide Formula: C45H31N5NiO2 MolecularWeight: 732.45334

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(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-].[Ni+2]

Isomeric SMILES

CC1C(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-].[Ni+2]

InChI

InChI=1S/C45H31N5O2.Ni/c1-28-43-41(31-18-10-4-11-19-31)37-26-24-35(47-37)39(29-14-6-2-7-15-29)33-22-23-34(46-33)40(30-16-8-3-9-17-30)36-25-27-38(48-36)42(32-20-12-5-13-21-32)44(49-43)45(28)50(51)52;/h2-28,45H,1H3;/q-2;+2