1-[4-[4-[2-(4-chloranylphenoxy)ethyl]piperazin-1-yl]-3-nitro-phenyl]ethanone

Systemtic Name: 1-[4-[4-[2-(4-chloranylphenoxy)ethyl]piperazin-1-yl]-3-nitro-phenyl]ethanone Openeye Name: 1-[4-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-3-nitro-phenyl]ethanone CAS Name: 1-[4-[4-[2-(4-chlorophenoxy)ethyl]-1-piperazinyl]-3-nitrophenyl]ethanone IUPAC Name: 1-[4-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-3-nitrophenyl]ethanone Traditional Name: 1-[4-[4-[2-(4-chlorophenoxy)ethyl]piperazino]-3-nitro-phenyl]ethanone Formula: C20H22ClN3O4 MolecularWeight: 403.85938

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)N2CCN(CC2)CCOC3=CC=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)N2CCN(CC2)CCOC3=CC=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C20H22ClN3O4/c1-15(25)16-2-7-19(20(14-16)24(26)27)23-10-8-22(9-11-23)12-13-28-18-5-3-17(21)4-6-18/h2-7,14H,8-13H2,1H3