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

Systemtic Name: 2-(4-bromanyl-3,5-dimethyl-phenoxy)-1-[4-(4-nitrophenyl)piperazin-1-yl]ethanone Openeye Name: 2-(4-bromo-3,5-dimethyl-phenoxy)-1-[4-(4-nitrophenyl)piperazin-1-yl]ethanone CAS Name: 2-(4-bromo-3,5-dimethylphenoxy)-1-[4-(4-nitrophenyl)-1-piperazinyl]ethanone IUPAC Name: 2-(4-bromo-3,5-dimethylphenoxy)-1-[4-(4-nitrophenyl)piperazin-1-yl]ethanone Traditional Name: 2-(4-bromo-3,5-dimethyl-phenoxy)-1-[4-(4-nitrophenyl)piperazino]ethanone Formula: C20H22BrN3O4 MolecularWeight: 448.31038

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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