2-(4-bromanylphenoxy)-1-[4-(4-chloranyl-2-nitro-phenyl)piperazin-1-yl]-2-methyl-propan-1-one

Systemtic Name: 2-(4-bromanylphenoxy)-1-[4-(4-chloranyl-2-nitro-phenyl)piperazin-1-yl]-2-methyl-propan-1-one Openeye Name: 2-(4-bromophenoxy)-1-[4-(4-chloro-2-nitro-phenyl)piperazin-1-yl]-2-methyl-propan-1-one CAS Name: 2-(4-bromophenoxy)-1-[4-(4-chloro-2-nitrophenyl)-1-piperazinyl]-2-methyl-1-propanone IUPAC Name: 2-(4-bromophenoxy)-1-[4-(4-chloro-2-nitrophenyl)piperazin-1-yl]-2-methylpropan-1-one Traditional Name: 2-(4-bromophenoxy)-1-[4-(4-chloro-2-nitro-phenyl)piperazino]-2-methyl-propan-1-one Formula: C20H21BrClN3O4 MolecularWeight: 482.75544

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)N1CCN(CC1)C2=C(C=C(C=C2)Cl)[N+](=O)[O-])OC3=CC=C(C=C3)Br

Isomeric SMILES

CC(C)(C(=O)N1CCN(CC1)C2=C(C=C(C=C2)Cl)[N+](=O)[O-])OC3=CC=C(C=C3)Br

InChI

InChI=1S/C20H21BrClN3O4/c1-20(2,29-16-6-3-14(21)4-7-16)19(26)24-11-9-23(10-12-24)17-8-5-15(22)13-18(17)25(27)28/h3-8,13H,9-12H2,1-2H3