5-[4-(bromomethyl)-3-nitro-phenyl]-10,15,20-triphenyl-21,22-dihydroporphyrin

Systemtic Name: 5-[4-(bromomethyl)-3-nitro-phenyl]-10,15,20-triphenyl-21,22-dihydroporphyrin Openeye Name: 5-[4-(bromomethyl)-3-nitro-phenyl]-10,15,20-triphenyl-21,22-dihydroporphyrin CAS Name: 5-[4-(bromomethyl)-3-nitrophenyl]-10,15,20-triphenyl-21,22-dihydroporphyrin IUPAC Name: 5-[4-(bromomethyl)-3-nitrophenyl]-10,15,20-triphenyl-21,22-dihydroporphyrin Traditional Name: 5-[4-(bromomethyl)-3-nitro-phenyl]-10,15,20-triphenyl-21,22-dihydroporphine Formula: C45H30BrN5O2 MolecularWeight: 752.656

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C3C=CC(=C(C4=CC=C(N4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C7=CC=CC=C7)C8=CC=CC=C8)C9=CC(=C(C=C9)CBr)[N+](=O)[O-])N3

Isomeric SMILES

C1=CC=C(C=C1)C2=C3C=CC(=C(C4=CC=C(N4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C7=CC=CC=C7)C8=CC=CC=C8)C9=CC(=C(C=C9)CBr)[N+](=O)[O-])N3

InChI

InChI=1S/C45H30BrN5O2/c46-27-32-17-16-31(26-41(32)51(52)53)45-39-24-22-37(49-39)43(29-12-6-2-7-13-29)35-20-18-33(47-35)42(28-10-4-1-5-11-28)34-19-21-36(48-34)44(30-14-8-3-9-15-30)38-23-25-40(45)50-38/h1-26,49-50H,27H2