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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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