2-(4-bromanyl-2,3,5-trimethyl-phenoxy)-1-[4-(4-nitrophenyl)piperazin-1-yl]ethanone

Systemtic Name: 2-(4-bromanyl-2,3,5-trimethyl-phenoxy)-1-[4-(4-nitrophenyl)piperazin-1-yl]ethanone Openeye Name: 2-(4-bromo-2,3,5-trimethyl-phenoxy)-1-[4-(4-nitrophenyl)piperazin-1-yl]ethanone CAS Name: 2-(4-bromo-2,3,5-trimethylphenoxy)-1-[4-(4-nitrophenyl)-1-piperazinyl]ethanone IUPAC Name: 2-(4-bromo-2,3,5-trimethylphenoxy)-1-[4-(4-nitrophenyl)piperazin-1-yl]ethanone Traditional Name: 2-(4-bromo-2,3,5-trimethyl-phenoxy)-1-[4-(4-nitrophenyl)piperazino]ethanone Formula: C21H24BrN3O4 MolecularWeight: 462.33696

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1Br)C)C)OCC(=O)N2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C(=C1Br)C)C)OCC(=O)N2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H24BrN3O4/c1-14-12-19(15(2)16(3)21(14)22)29-13-20(26)24-10-8-23(9-11-24)17-4-6-18(7-5-17)25(27)28/h4-7,12H,8-11,13H2,1-3H3