2,6-ditert-butyl-4-[[4-[2-(3-nitrophenyl)-2-oxidanyl-ethyl]piperazin-1-yl]methyl]phenol

Systemtic Name: 2,6-ditert-butyl-4-[[4-[2-(3-nitrophenyl)-2-oxidanyl-ethyl]piperazin-1-yl]methyl]phenol Openeye Name: 2,6-ditert-butyl-4-[[4-[2-hydroxy-2-(3-nitrophenyl)ethyl]piperazin-1-yl]methyl]phenol CAS Name: 2,6-ditert-butyl-4-[[4-[2-hydroxy-2-(3-nitrophenyl)ethyl]-1-piperazinyl]methyl]phenol IUPAC Name: 2,6-ditert-butyl-4-[[4-[2-hydroxy-2-(3-nitrophenyl)ethyl]piperazin-1-yl]methyl]phenol Traditional Name: 2,6-ditert-butyl-4-[[4-[2-hydroxy-2-(3-nitrophenyl)ethyl]piperazino]methyl]phenol Formula: C27H39N3O4 MolecularWeight: 469.61626

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CN2CCN(CC2)CC(C3=CC(=CC=C3)[N+](=O)[O-])O

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CN2CCN(CC2)CC(C3=CC(=CC=C3)[N+](=O)[O-])O

InChI

InChI=1S/C27H39N3O4/c1-26(2,3)22-14-19(15-23(25(22)32)27(4,5)6)17-28-10-12-29(13-11-28)18-24(31)20-8-7-9-21(16-20)30(33)34/h7-9,14-16,24,31-32H,10-13,17-18H2,1-6H3