2-(4-chloranyl-2-nitro-phenoxy)-1-[4-(2-phenoxyethyl)piperazin-1-yl]ethanone

Systemtic Name: 2-(4-chloranyl-2-nitro-phenoxy)-1-[4-(2-phenoxyethyl)piperazin-1-yl]ethanone Openeye Name: 2-(4-chloro-2-nitro-phenoxy)-1-[4-(2-phenoxyethyl)piperazin-1-yl]ethanone CAS Name: 2-(4-chloro-2-nitrophenoxy)-1-[4-(2-phenoxyethyl)-1-piperazinyl]ethanone IUPAC Name: 2-(4-chloro-2-nitrophenoxy)-1-[4-(2-phenoxyethyl)piperazin-1-yl]ethanone Traditional Name: 2-(4-chloro-2-nitro-phenoxy)-1-[4-(2-phenoxyethyl)piperazino]ethanone Formula: C20H22ClN3O5 MolecularWeight: 419.85878

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCOC2=CC=CC=C2)C(=O)COC3=C(C=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CCOC2=CC=CC=C2)C(=O)COC3=C(C=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C20H22ClN3O5/c21-16-6-7-19(18(14-16)24(26)27)29-15-20(25)23-10-8-22(9-11-23)12-13-28-17-4-2-1-3-5-17/h1-7,14H,8-13,15H2