2-(4-chloranyl-3,5-dimethyl-phenoxy)-1-[4-(2-chloranyl-6-nitro-phenyl)piperazin-1-yl]ethanone

Systemtic Name: 2-(4-chloranyl-3,5-dimethyl-phenoxy)-1-[4-(2-chloranyl-6-nitro-phenyl)piperazin-1-yl]ethanone Openeye Name: 2-(4-chloro-3,5-dimethyl-phenoxy)-1-[4-(2-chloro-6-nitro-phenyl)piperazin-1-yl]ethanone CAS Name: 2-(4-chloro-3,5-dimethylphenoxy)-1-[4-(2-chloro-6-nitrophenyl)-1-piperazinyl]ethanone IUPAC Name: 2-(4-chloro-3,5-dimethylphenoxy)-1-[4-(2-chloro-6-nitrophenyl)piperazin-1-yl]ethanone Traditional Name: 2-(4-chloro-3,5-dimethyl-phenoxy)-1-[4-(2-chloro-6-nitro-phenyl)piperazino]ethanone Formula: C20H21Cl2N3O4 MolecularWeight: 438.30444

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1Cl)C)OCC(=O)N2CCN(CC2)C3=C(C=CC=C3Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC(=C1Cl)C)OCC(=O)N2CCN(CC2)C3=C(C=CC=C3Cl)[N+](=O)[O-]

InChI

InChI=1S/C20H21Cl2N3O4/c1-13-10-15(11-14(2)19(13)22)29-12-18(26)23-6-8-24(9-7-23)20-16(21)4-3-5-17(20)25(27)28/h3-5,10-11H,6-9,12H2,1-2H3