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

Systemtic Name: 2-(2-bromanyl-4-ethyl-phenoxy)-1-[4-(4-nitrophenyl)piperazin-1-yl]ethanone Openeye Name: 2-(2-bromo-4-ethyl-phenoxy)-1-[4-(4-nitrophenyl)piperazin-1-yl]ethanone CAS Name: 2-(2-bromo-4-ethylphenoxy)-1-[4-(4-nitrophenyl)-1-piperazinyl]ethanone IUPAC Name: 2-(2-bromo-4-ethylphenoxy)-1-[4-(4-nitrophenyl)piperazin-1-yl]ethanone Traditional Name: 2-(2-bromo-4-ethyl-phenoxy)-1-[4-(4-nitrophenyl)piperazino]ethanone Formula: C20H22BrN3O4 MolecularWeight: 448.31038

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C=C1)OCC(=O)N2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-])Br

Isomeric SMILES

CCC1=CC(=C(C=C1)OCC(=O)N2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-])Br

InChI

InChI=1S/C20H22BrN3O4/c1-2-15-3-8-19(18(21)13-15)28-14-20(25)23-11-9-22(10-12-23)16-4-6-17(7-5-16)24(26)27/h3-8,13H,2,9-12,14H2,1H3