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

Systemtic Name: N-[4-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]phenyl]-2-nitro-benzamide Openeye Name: N-[4-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]phenyl]-2-nitro-benzamide CAS Name: N-[4-[4-(2,2-dimethyl-1-oxopropyl)-1-piperazinyl]phenyl]-2-nitrobenzamide IUPAC Name: N-[4-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]phenyl]-2-nitrobenzamide Traditional Name: 2-nitro-N-[4-(4-pivaloylpiperazino)phenyl]benzamide Formula: C22H26N4O4 MolecularWeight: 410.46624

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N4O4/c1-22(2,3)21(28)25-14-12-24(13-15-25)17-10-8-16(9-11-17)23-20(27)18-6-4-5-7-19(18)26(29)30/h4-11H,12-15H2,1-3H3,(H,23,27)