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

Systemtic Name: 5-[4-(2-chlorophenyl)piperazin-1-yl]-2,4-dinitro-N-phenyl-aniline Openeye Name: 5-[4-(2-chlorophenyl)piperazin-1-yl]-2,4-dinitro-N-phenyl-aniline CAS Name: 5-[4-(2-chlorophenyl)-1-piperazinyl]-2,4-dinitro-N-phenylaniline IUPAC Name: 5-[4-(2-chlorophenyl)piperazin-1-yl]-2,4-dinitro-N-phenylaniline Traditional Name: [5-[4-(2-chlorophenyl)piperazino]-2,4-dinitro-phenyl]-phenyl-amine Formula: C22H20ClN5O4 MolecularWeight: 453.8783

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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=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C22H20ClN5O4/c23-17-8-4-5-9-19(17)25-10-12-26(13-11-25)21-14-18(24-16-6-2-1-3-7-16)20(27(29)30)15-22(21)28(31)32/h1-9,14-15,24H,10-13H2