2-(2-butan-2-ylphenoxy)-1-[4-(4-chloranyl-2-nitro-phenyl)piperazin-1-yl]ethanone

Systemtic Name: 2-(2-butan-2-ylphenoxy)-1-[4-(4-chloranyl-2-nitro-phenyl)piperazin-1-yl]ethanone Openeye Name: 1-[4-(4-chloro-2-nitro-phenyl)piperazin-1-yl]-2-(2-sec-butylphenoxy)ethanone CAS Name: 2-(2-butan-2-ylphenoxy)-1-[4-(4-chloro-2-nitrophenyl)-1-piperazinyl]ethanone IUPAC Name: 2-(2-butan-2-ylphenoxy)-1-[4-(4-chloro-2-nitrophenyl)piperazin-1-yl]ethanone Traditional Name: 1-[4-(4-chloro-2-nitro-phenyl)piperazino]-2-(2-sec-butylphenoxy)ethanone Formula: C22H26ClN3O4 MolecularWeight: 431.91254

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=CC=C1OCC(=O)N2CCN(CC2)C3=C(C=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CCC(C)C1=CC=CC=C1OCC(=O)N2CCN(CC2)C3=C(C=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C22H26ClN3O4/c1-3-16(2)18-6-4-5-7-21(18)30-15-22(27)25-12-10-24(11-13-25)19-9-8-17(23)14-20(19)26(28)29/h4-9,14,16H,3,10-13,15H2,1-2H3