2-(3,5-ditert-butyl-4-oxidanyl-phenyl)-1-[4-(4-nitrophenyl)piperazin-1-yl]ethanone

Systemtic Name: 2-(3,5-ditert-butyl-4-oxidanyl-phenyl)-1-[4-(4-nitrophenyl)piperazin-1-yl]ethanone Openeye Name: 2-(3,5-ditert-butyl-4-hydroxy-phenyl)-1-[4-(4-nitrophenyl)piperazin-1-yl]ethanone CAS Name: 2-(3,5-ditert-butyl-4-hydroxyphenyl)-1-[4-(4-nitrophenyl)-1-piperazinyl]ethanone IUPAC Name: 2-(3,5-ditert-butyl-4-hydroxyphenyl)-1-[4-(4-nitrophenyl)piperazin-1-yl]ethanone Traditional Name: 2-(3,5-ditert-butyl-4-hydroxy-phenyl)-1-[4-(4-nitrophenyl)piperazino]ethanone Formula: C26H35N3O4 MolecularWeight: 453.5738

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CC(=O)N2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CC(=O)N2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C26H35N3O4/c1-25(2,3)21-15-18(16-22(24(21)31)26(4,5)6)17-23(30)28-13-11-27(12-14-28)19-7-9-20(10-8-19)29(32)33/h7-10,15-16,31H,11-14,17H2,1-6H3