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

Systemtic Name: 4-chloranyl-N-[3-chloranyl-4-[4-(2-methylphenyl)carbonylpiperazin-1-yl]phenyl]-3-nitro-benzamide Openeye Name: 4-chloro-N-[3-chloro-4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]-3-nitro-benzamide CAS Name: 4-chloro-N-[3-chloro-4-[4-[(2-methylphenyl)-oxomethyl]-1-piperazinyl]phenyl]-3-nitrobenzamide IUPAC Name: 4-chloro-N-[3-chloro-4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]-3-nitrobenzamide Traditional Name: 4-chloro-N-[3-chloro-4-(4-o-toluoylpiperazino)phenyl]-3-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=CC(=C(C=C4)Cl)[N+](=O)[O-])Cl

Isomeric SMILES

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

InChI

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