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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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