2-nitro-5-[15-(4-nitro-3-oxidanyl-phenyl)-10,20-dipyridin-4-yl-21,24-dihydroporphyrin-5-yl]phenol

Systemtic Name: 2-nitro-5-[15-(4-nitro-3-oxidanyl-phenyl)-10,20-dipyridin-4-yl-21,24-dihydroporphyrin-5-yl]phenol Openeye Name: 5-[15-(3-hydroxy-4-nitro-phenyl)-10,20-bis(4-pyridyl)-21,24-dihydroporphyrin-5-yl]-2-nitro-phenol CAS Name: 5-[15-(3-hydroxy-4-nitrophenyl)-10,20-dipyridin-4-yl-21,24-dihydroporphyrin-5-yl]-2-nitrophenol IUPAC Name: 5-[15-(3-hydroxy-4-nitrophenyl)-10,20-dipyridin-4-yl-21,24-dihydroporphyrin-5-yl]-2-nitrophenol Traditional Name: 5-[15-(3-hydroxy-4-nitro-phenyl)-10,20-bis(4-pyridyl)-21,24-dihydroporphin-5-yl]-2-nitro-phenol Formula: C42H26N8O6 MolecularWeight: 738.70584

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C2=C3C=CC(=C(C4=CC=C(N4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C7=CC=NC=C7)C8=CC(=C(C=C8)[N+](=O)[O-])O)C9=CC=NC=C9)N3)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=C(C=C1C2=C3C=CC(=C(C4=CC=C(N4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C7=CC=NC=C7)C8=CC(=C(C=C8)[N+](=O)[O-])O)C9=CC=NC=C9)N3)O)[N+](=O)[O-]

InChI

InChI=1S/C42H26N8O6/c51-37-21-25(1-11-35(37)49(53)54)41-31-7-3-27(45-31)39(23-13-17-43-18-14-23)29-5-9-33(47-29)42(26-2-12-36(50(55)56)38(52)22-26)34-10-6-30(48-34)40(24-15-19-44-20-16-24)28-4-8-32(41)46-28/h1-22,45,47,51-52H