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

Systemtic Name: 5-[4-(2-chlorophenyl)piperazin-1-yl]-N-(4-methylphenyl)-2,4-dinitro-aniline Openeye Name: 5-[4-(2-chlorophenyl)piperazin-1-yl]-2,4-dinitro-N-(p-tolyl)aniline CAS Name: 5-[4-(2-chlorophenyl)-1-piperazinyl]-N-(4-methylphenyl)-2,4-dinitroaniline IUPAC Name: 5-[4-(2-chlorophenyl)piperazin-1-yl]-N-(4-methylphenyl)-2,4-dinitroaniline Traditional Name: [5-[4-(2-chlorophenyl)piperazino]-2,4-dinitro-phenyl]-(p-tolyl)amine Formula: C23H22ClN5O4 MolecularWeight: 467.90488

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC2=C(C=C(C(=C2)N3CCN(CC3)C4=CC=CC=C4Cl)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)NC2=C(C=C(C(=C2)N3CCN(CC3)C4=CC=CC=C4Cl)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C23H22ClN5O4/c1-16-6-8-17(9-7-16)25-19-14-22(23(29(32)33)15-21(19)28(30)31)27-12-10-26(11-13-27)20-5-3-2-4-18(20)24/h2-9,14-15,25H,10-13H2,1H3