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

Systemtic Name: 2-chloranyl-N-[3-chloranyl-4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-5-nitro-benzamide Openeye Name: 2-chloro-N-[3-chloro-4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-5-nitro-benzamide CAS Name: 2-chloro-N-[3-chloro-4-[4-(2-methyl-1-oxopropyl)-1-piperazinyl]phenyl]-5-nitrobenzamide IUPAC Name: 2-chloro-N-[3-chloro-4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-5-nitrobenzamide Traditional Name: 2-chloro-N-[3-chloro-4-(4-isobutyrylpiperazino)phenyl]-5-nitro-benzamide Formula: C21H22Cl2N4O4 MolecularWeight: 465.32978

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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