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

Systemtic Name: N-[2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-2-nitro-benzamide Openeye Name: N-[2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-2-nitro-benzamide CAS Name: N-[2-[4-(2-methyl-1-oxopropyl)-1-piperazinyl]phenyl]-2-nitrobenzamide IUPAC Name: N-[2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-2-nitrobenzamide Traditional Name: N-[2-(4-isobutyrylpiperazino)phenyl]-2-nitro-benzamide Formula: C21H24N4O4 MolecularWeight: 396.43966

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)N1CCN(CC1)C2=CC=CC=C2NC(=O)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CC(C)C(=O)N1CCN(CC1)C2=CC=CC=C2NC(=O)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C21H24N4O4/c1-15(2)21(27)24-13-11-23(12-14-24)19-10-6-4-8-17(19)22-20(26)16-7-3-5-9-18(16)25(28)29/h3-10,15H,11-14H2,1-2H3,(H,22,26)