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

Systemtic Name: 5-[4-(2-chlorophenyl)piperazin-1-yl]-N-(3,4-dimethylphenyl)-2,4-dinitro-aniline Openeye Name: 5-[4-(2-chlorophenyl)piperazin-1-yl]-N-(3,4-dimethylphenyl)-2,4-dinitro-aniline CAS Name: 5-[4-(2-chlorophenyl)-1-piperazinyl]-N-(3,4-dimethylphenyl)-2,4-dinitroaniline IUPAC Name: 5-[4-(2-chlorophenyl)piperazin-1-yl]-N-(3,4-dimethylphenyl)-2,4-dinitroaniline Traditional Name: [5-[4-(2-chlorophenyl)piperazino]-2,4-dinitro-phenyl]-(3,4-dimethylphenyl)amine Formula: C24H24ClN5O4 MolecularWeight: 481.93146

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H24ClN5O4/c1-16-7-8-18(13-17(16)2)26-20-14-23(24(30(33)34)15-22(20)29(31)32)28-11-9-27(10-12-28)21-6-4-3-5-19(21)25/h3-8,13-15,26H,9-12H2,1-2H3