2-(2-bromanyl-4-tert-butyl-phenoxy)-1-[4-(4-nitrophenyl)piperazin-1-yl]ethanone

Systemtic Name: 2-(2-bromanyl-4-tert-butyl-phenoxy)-1-[4-(4-nitrophenyl)piperazin-1-yl]ethanone Openeye Name: 2-(2-bromo-4-tert-butyl-phenoxy)-1-[4-(4-nitrophenyl)piperazin-1-yl]ethanone CAS Name: 2-(2-bromo-4-tert-butylphenoxy)-1-[4-(4-nitrophenyl)-1-piperazinyl]ethanone IUPAC Name: 2-(2-bromo-4-tert-butylphenoxy)-1-[4-(4-nitrophenyl)piperazin-1-yl]ethanone Traditional Name: 2-(2-bromo-4-tert-butyl-phenoxy)-1-[4-(4-nitrophenyl)piperazino]ethanone Formula: C22H26BrN3O4 MolecularWeight: 476.36354

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26BrN3O4/c1-22(2,3)16-4-9-20(19(23)14-16)30-15-21(27)25-12-10-24(11-13-25)17-5-7-18(8-6-17)26(28)29/h4-9,14H,10-13,15H2,1-3H3