N-(4-bromophenyl)-5-[4-(2-chlorophenyl)piperazin-1-yl]-2,4-dinitro-aniline

Systemtic Name: N-(4-bromophenyl)-5-[4-(2-chlorophenyl)piperazin-1-yl]-2,4-dinitro-aniline Openeye Name: N-(4-bromophenyl)-5-[4-(2-chlorophenyl)piperazin-1-yl]-2,4-dinitro-aniline CAS Name: N-(4-bromophenyl)-5-[4-(2-chlorophenyl)-1-piperazinyl]-2,4-dinitroaniline IUPAC Name: N-(4-bromophenyl)-5-[4-(2-chlorophenyl)piperazin-1-yl]-2,4-dinitroaniline Traditional Name: (4-bromophenyl)-[5-[4-(2-chlorophenyl)piperazino]-2,4-dinitro-phenyl]amine Formula: C22H19BrClN5O4 MolecularWeight: 532.77436

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2Cl)C3=CC(=C(C=C3[N+](=O)[O-])[N+](=O)[O-])NC4=CC=C(C=C4)Br

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2Cl)C3=CC(=C(C=C3[N+](=O)[O-])[N+](=O)[O-])NC4=CC=C(C=C4)Br

InChI

InChI=1S/C22H19BrClN5O4/c23-15-5-7-16(8-6-15)25-18-13-21(22(29(32)33)14-20(18)28(30)31)27-11-9-26(10-12-27)19-4-2-1-3-17(19)24/h1-8,13-14,25H,9-12H2