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

Systemtic Name: 1-[2-[3-(4-chloranyl-3-nitro-phenyl)-1,2,4-oxadiazol-5-yl]piperazin-1-yl]-2-phenoxy-ethanone Openeye Name: 1-[2-[3-(4-chloro-3-nitro-phenyl)-1,2,4-oxadiazol-5-yl]piperazin-1-yl]-2-phenoxy-ethanone CAS Name: 1-[2-[3-(4-chloro-3-nitrophenyl)-1,2,4-oxadiazol-5-yl]-1-piperazinyl]-2-phenoxyethanone IUPAC Name: 1-[2-[3-(4-chloro-3-nitrophenyl)-1,2,4-oxadiazol-5-yl]piperazin-1-yl]-2-phenoxyethanone Traditional Name: 1-[2-[3-(4-chloro-3-nitro-phenyl)-1,2,4-oxadiazol-5-yl]piperazino]-2-phenoxy-ethanone Formula: C20H18ClN5O5 MolecularWeight: 443.84042

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(CN1)C2=NC(=NO2)C3=CC(=C(C=C3)Cl)[N+](=O)[O-])C(=O)COC4=CC=CC=C4

Isomeric SMILES

C1CN(C(CN1)C2=NC(=NO2)C3=CC(=C(C=C3)Cl)[N+](=O)[O-])C(=O)COC4=CC=CC=C4

InChI

InChI=1S/C20H18ClN5O5/c21-15-7-6-13(10-16(15)26(28)29)19-23-20(31-24-19)17-11-22-8-9-25(17)18(27)12-30-14-4-2-1-3-5-14/h1-7,10,17,22H,8-9,11-12H2