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

Systemtic Name: N-[3-chloranyl-4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-2-nitro-benzamide Openeye Name: N-[3-chloro-4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-2-nitro-benzamide CAS Name: N-[3-chloro-4-[4-(2-methyl-1-oxopropyl)-1-piperazinyl]phenyl]-2-nitrobenzamide IUPAC Name: N-[3-chloro-4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-2-nitrobenzamide Traditional Name: N-[3-chloro-4-(4-isobutyrylpiperazino)phenyl]-2-nitro-benzamide Formula: C21H23ClN4O4 MolecularWeight: 430.88472

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=CC=CC=C3[N+](=O)[O-])Cl

Isomeric SMILES

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

InChI

InChI=1S/C21H23ClN4O4/c1-14(2)21(28)25-11-9-24(10-12-25)19-8-7-15(13-17(19)22)23-20(27)16-5-3-4-6-18(16)26(29)30/h3-8,13-14H,9-12H2,1-2H3,(H,23,27)