2-(2-bromanyl-4,6-dimethyl-phenoxy)-1-[4-(2-chloranyl-6-nitro-phenyl)piperazin-1-yl]ethanone

Systemtic Name: 2-(2-bromanyl-4,6-dimethyl-phenoxy)-1-[4-(2-chloranyl-6-nitro-phenyl)piperazin-1-yl]ethanone Openeye Name: 2-(2-bromo-4,6-dimethyl-phenoxy)-1-[4-(2-chloro-6-nitro-phenyl)piperazin-1-yl]ethanone CAS Name: 2-(2-bromo-4,6-dimethylphenoxy)-1-[4-(2-chloro-6-nitrophenyl)-1-piperazinyl]ethanone IUPAC Name: 2-(2-bromo-4,6-dimethylphenoxy)-1-[4-(2-chloro-6-nitrophenyl)piperazin-1-yl]ethanone Traditional Name: 2-(2-bromo-4,6-dimethyl-phenoxy)-1-[4-(2-chloro-6-nitro-phenyl)piperazino]ethanone Formula: C20H21BrClN3O4 MolecularWeight: 482.75544

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)Br)OCC(=O)N2CCN(CC2)C3=C(C=CC=C3Cl)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=C(C(=C1)Br)OCC(=O)N2CCN(CC2)C3=C(C=CC=C3Cl)[N+](=O)[O-])C

InChI

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