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

Systemtic Name: 2-(4-chloranyl-2-nitro-phenoxy)-1-[4-(phenylmethyl)piperazin-1-yl]ethanone Openeye Name: 1-(4-benzylpiperazin-1-yl)-2-(4-chloro-2-nitro-phenoxy)ethanone CAS Name: 2-(4-chloro-2-nitrophenoxy)-1-[4-(phenylmethyl)-1-piperazinyl]ethanone IUPAC Name: 1-(4-benzylpiperazin-1-yl)-2-(4-chloro-2-nitrophenoxy)ethanone Traditional Name: 1-(4-benzylpiperazino)-2-(4-chloro-2-nitro-phenoxy)ethanone Formula: C19H20ClN3O4 MolecularWeight: 389.8328

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C(=O)COC3=C(C=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C(=O)COC3=C(C=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C19H20ClN3O4/c20-16-6-7-18(17(12-16)23(25)26)27-14-19(24)22-10-8-21(9-11-22)13-15-4-2-1-3-5-15/h1-7,12H,8-11,13-14H2