2-(3-tert-butyl-2,6-dinitro-phenoxy)-1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]ethanone

Systemtic Name: 2-(3-tert-butyl-2,6-dinitro-phenoxy)-1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]ethanone Openeye Name: 2-(3-tert-butyl-2,6-dinitro-phenoxy)-1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]ethanone CAS Name: 2-(3-tert-butyl-2,6-dinitrophenoxy)-1-[4-[(4-chlorophenyl)methyl]-1-piperazinyl]ethanone IUPAC Name: 2-(3-tert-butyl-2,6-dinitrophenoxy)-1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]ethanone Traditional Name: 2-(3-tert-butyl-2,6-dinitro-phenoxy)-1-[4-(4-chlorobenzyl)piperazino]ethanone Formula: C23H27ClN4O6 MolecularWeight: 490.93668

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C(=C(C=C1)[N+](=O)[O-])OCC(=O)N2CCN(CC2)CC3=CC=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C1=C(C(=C(C=C1)[N+](=O)[O-])OCC(=O)N2CCN(CC2)CC3=CC=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C23H27ClN4O6/c1-23(2,3)18-8-9-19(27(30)31)22(21(18)28(32)33)34-15-20(29)26-12-10-25(11-13-26)14-16-4-6-17(24)7-5-16/h4-9H,10-15H2,1-3H3