5-[4-(3-chlorophenyl)piperazin-1-yl]-N-methyl-2,4-dinitro-N-phenyl-aniline

Systemtic Name: 5-[4-(3-chlorophenyl)piperazin-1-yl]-N-methyl-2,4-dinitro-N-phenyl-aniline Openeye Name: 5-[4-(3-chlorophenyl)piperazin-1-yl]-N-methyl-2,4-dinitro-N-phenyl-aniline CAS Name: 5-[4-(3-chlorophenyl)-1-piperazinyl]-N-methyl-2,4-dinitro-N-phenylaniline IUPAC Name: 5-[4-(3-chlorophenyl)piperazin-1-yl]-N-methyl-2,4-dinitro-N-phenylaniline Traditional Name: [5-[4-(3-chlorophenyl)piperazino]-2,4-dinitro-phenyl]-methyl-phenyl-amine Formula: C23H22ClN5O4 MolecularWeight: 467.90488

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=CC=C1)C2=C(C=C(C(=C2)N3CCN(CC3)C4=CC(=CC=C4)Cl)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CN(C1=CC=CC=C1)C2=C(C=C(C(=C2)N3CCN(CC3)C4=CC(=CC=C4)Cl)[N+](=O)[O-])[N+](=O)[O-]

InChI

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