2-chloranyl-N-[5-chloranyl-2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-4-nitro-benzamide

Systemtic Name: 2-chloranyl-N-[5-chloranyl-2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-4-nitro-benzamide Openeye Name: 2-chloro-N-[5-chloro-2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-4-nitro-benzamide CAS Name: 2-chloro-N-[5-chloro-2-[4-(2-methyl-1-oxopropyl)-1-piperazinyl]phenyl]-4-nitrobenzamide IUPAC Name: 2-chloro-N-[5-chloro-2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-4-nitrobenzamide Traditional Name: 2-chloro-N-[5-chloro-2-(4-isobutyrylpiperazino)phenyl]-4-nitro-benzamide Formula: C21H22Cl2N4O4 MolecularWeight: 465.32978

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)N1CCN(CC1)C2=C(C=C(C=C2)Cl)NC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])Cl

Isomeric SMILES

CC(C)C(=O)N1CCN(CC1)C2=C(C=C(C=C2)Cl)NC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C21H22Cl2N4O4/c1-13(2)21(29)26-9-7-25(8-10-26)19-6-3-14(22)11-18(19)24-20(28)16-5-4-15(27(30)31)12-17(16)23/h3-6,11-13H,7-10H2,1-2H3,(H,24,28)