15-[1,5-bis(bromanyl)pentan-3-yl]-5-(4-nitrophenyl)-21,22-dihydroporphyrin

Systemtic Name: 15-[1,5-bis(bromanyl)pentan-3-yl]-5-(4-nitrophenyl)-21,22-dihydroporphyrin Openeye Name: 15-[3-bromo-1-(2-bromoethyl)propyl]-5-(4-nitrophenyl)-21,22-dihydroporphyrin CAS Name: 15-(1,5-dibromopentan-3-yl)-5-(4-nitrophenyl)-21,22-dihydroporphyrin IUPAC Name: 15-(1,5-dibromopentan-3-yl)-5-(4-nitrophenyl)-21,22-dihydroporphyrin Traditional Name: 15-[3-bromo-1-(2-bromoethyl)propyl]-5-(4-nitrophenyl)-21,22-dihydroporphine Formula: C31H25Br2N5O2 MolecularWeight: 659.3705

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=C3C=CC(=CC4=NC(=C(C5=NC(=CC6=CC=C2N6)C=C5)C(CCBr)CCBr)C=C4)N3)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C2=C3C=CC(=CC4=NC(=C(C5=NC(=CC6=CC=C2N6)C=C5)C(CCBr)CCBr)C=C4)N3)[N+](=O)[O-]

InChI

InChI=1S/C31H25Br2N5O2/c32-15-13-20(14-16-33)31-28-11-5-23(36-28)17-21-3-9-26(34-21)30(19-1-7-25(8-2-19)38(39)40)27-10-4-22(35-27)18-24-6-12-29(31)37-24/h1-12,17-18,20,34-35H,13-16H2