2-(4-tert-butylphenoxy)-1-[4-(2-chloranyl-6-nitro-phenyl)piperazin-1-yl]ethanone

Systemtic Name: 2-(4-tert-butylphenoxy)-1-[4-(2-chloranyl-6-nitro-phenyl)piperazin-1-yl]ethanone Openeye Name: 2-(4-tert-butylphenoxy)-1-[4-(2-chloro-6-nitro-phenyl)piperazin-1-yl]ethanone CAS Name: 2-(4-tert-butylphenoxy)-1-[4-(2-chloro-6-nitrophenyl)-1-piperazinyl]ethanone IUPAC Name: 2-(4-tert-butylphenoxy)-1-[4-(2-chloro-6-nitrophenyl)piperazin-1-yl]ethanone Traditional Name: 2-(4-tert-butylphenoxy)-1-[4-(2-chloro-6-nitro-phenyl)piperazino]ethanone Formula: C22H26ClN3O4 MolecularWeight: 431.91254

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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