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

Systemtic Name: 2-chloranyl-N-[3-chloranyl-2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-5-nitro-benzamide Openeye Name: 2-chloro-N-[3-chloro-2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-5-nitro-benzamide CAS Name: 2-chloro-N-[3-chloro-2-[4-(2-methyl-1-oxopropyl)-1-piperazinyl]phenyl]-5-nitrobenzamide IUPAC Name: 2-chloro-N-[3-chloro-2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-5-nitrobenzamide Traditional Name: 2-chloro-N-[3-chloro-2-(4-isobutyrylpiperazino)phenyl]-5-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=CC=C2Cl)NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl

Isomeric SMILES

CC(C)C(=O)N1CCN(CC1)C2=C(C=CC=C2Cl)NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl

InChI

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