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

Systemtic Name: 1-[4-(2-chloranyl-6-nitro-phenyl)piperazin-1-yl]-2-(3,4-dimethylphenoxy)ethanone Openeye Name: 1-[4-(2-chloro-6-nitro-phenyl)piperazin-1-yl]-2-(3,4-dimethylphenoxy)ethanone CAS Name: 1-[4-(2-chloro-6-nitrophenyl)-1-piperazinyl]-2-(3,4-dimethylphenoxy)ethanone IUPAC Name: 1-[4-(2-chloro-6-nitrophenyl)piperazin-1-yl]-2-(3,4-dimethylphenoxy)ethanone Traditional Name: 1-[4-(2-chloro-6-nitro-phenyl)piperazino]-2-(3,4-dimethylphenoxy)ethanone Formula: C20H22ClN3O4 MolecularWeight: 403.85938

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)OCC(=O)N2CCN(CC2)C3=C(C=CC=C3Cl)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C=C(C=C1)OCC(=O)N2CCN(CC2)C3=C(C=CC=C3Cl)[N+](=O)[O-])C

InChI

InChI=1S/C20H22ClN3O4/c1-14-6-7-16(12-15(14)2)28-13-19(25)22-8-10-23(11-9-22)20-17(21)4-3-5-18(20)24(26)27/h3-7,12H,8-11,13H2,1-2H3