N-[4-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]phenyl]-2-methyl-3-nitro-benzamide

Systemtic Name: N-[4-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]phenyl]-2-methyl-3-nitro-benzamide Openeye Name: N-[4-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]phenyl]-2-methyl-3-nitro-benzamide CAS Name: N-[4-[4-(2,2-dimethyl-1-oxopropyl)-1-piperazinyl]phenyl]-2-methyl-3-nitrobenzamide IUPAC Name: N-[4-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]phenyl]-2-methyl-3-nitrobenzamide Traditional Name: 2-methyl-3-nitro-N-[4-(4-pivaloylpiperazino)phenyl]benzamide Formula: C23H28N4O4 MolecularWeight: 424.49282

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NC2=CC=C(C=C2)N3CCN(CC3)C(=O)C(C)(C)C

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NC2=CC=C(C=C2)N3CCN(CC3)C(=O)C(C)(C)C

InChI

InChI=1S/C23H28N4O4/c1-16-19(6-5-7-20(16)27(30)31)21(28)24-17-8-10-18(11-9-17)25-12-14-26(15-13-25)22(29)23(2,3)4/h5-11H,12-15H2,1-4H3,(H,24,28)