4-nitro-2,6-bis[[2-[oxidanyl(diphenyl)methyl]pyrrolidin-1-yl]methyl]phenol

Systemtic Name: 4-nitro-2,6-bis[[2-[oxidanyl(diphenyl)methyl]pyrrolidin-1-yl]methyl]phenol Openeye Name: 2,6-bis[[2-[hydroxy(diphenyl)methyl]pyrrolidin-1-yl]methyl]-4-nitro-phenol CAS Name: 2,6-bis[[2-[hydroxy(diphenyl)methyl]-1-pyrrolidinyl]methyl]-4-nitrophenol IUPAC Name: 2,6-bis[[2-[hydroxy(diphenyl)methyl]pyrrolidin-1-yl]methyl]-4-nitrophenol Traditional Name: 2,6-bis[[2-[hydroxy(diphenyl)methyl]pyrrolidino]methyl]-4-nitro-phenol Formula: C42H43N3O5 MolecularWeight: 669.80792

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)CC2=CC(=CC(=C2O)CN3CCCC3C(C4=CC=CC=C4)(C5=CC=CC=C5)O)[N+](=O)[O-])C(C6=CC=CC=C6)(C7=CC=CC=C7)O

Isomeric SMILES

C1CC(N(C1)CC2=CC(=CC(=C2O)CN3CCCC3C(C4=CC=CC=C4)(C5=CC=CC=C5)O)[N+](=O)[O-])C(C6=CC=CC=C6)(C7=CC=CC=C7)O

InChI

InChI=1S/C42H43N3O5/c46-40-31(29-43-25-13-23-38(43)41(47,33-15-5-1-6-16-33)34-17-7-2-8-18-34)27-37(45(49)50)28-32(40)30-44-26-14-24-39(44)42(48,35-19-9-3-10-20-35)36-21-11-4-12-22-36/h1-12,15-22,27-28,38-39,46-48H,13-14,23-26,29-30H2