2-chloranyl-N-[3-chloranyl-4-[4-(2-methylphenyl)carbonylpiperazin-1-yl]phenyl]-5-nitro-benzamide

Systemtic Name: 2-chloranyl-N-[3-chloranyl-4-[4-(2-methylphenyl)carbonylpiperazin-1-yl]phenyl]-5-nitro-benzamide Openeye Name: 2-chloro-N-[3-chloro-4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]-5-nitro-benzamide CAS Name: 2-chloro-N-[3-chloro-4-[4-[(2-methylphenyl)-oxomethyl]-1-piperazinyl]phenyl]-5-nitrobenzamide IUPAC Name: 2-chloro-N-[3-chloro-4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]-5-nitrobenzamide Traditional Name: 2-chloro-N-[3-chloro-4-(4-o-toluoylpiperazino)phenyl]-5-nitro-benzamide Formula: C25H22Cl2N4O4 MolecularWeight: 513.37258

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)N2CCN(CC2)C3=C(C=C(C=C3)NC(=O)C4=C(C=CC(=C4)[N+](=O)[O-])Cl)Cl

Isomeric SMILES

CC1=CC=CC=C1C(=O)N2CCN(CC2)C3=C(C=C(C=C3)NC(=O)C4=C(C=CC(=C4)[N+](=O)[O-])Cl)Cl

InChI

InChI=1S/C25H22Cl2N4O4/c1-16-4-2-3-5-19(16)25(33)30-12-10-29(11-13-30)23-9-6-17(14-22(23)27)28-24(32)20-15-18(31(34)35)7-8-21(20)26/h2-9,14-15H,10-13H2,1H3,(H,28,32)