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

Systemtic Name: N-[3-chloranyl-4-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]phenyl]-4-methoxy-3-nitro-benzamide Openeye Name: N-[3-chloro-4-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]phenyl]-4-methoxy-3-nitro-benzamide CAS Name: N-[3-chloro-4-[4-(2,2-dimethyl-1-oxopropyl)-1-piperazinyl]phenyl]-4-methoxy-3-nitrobenzamide IUPAC Name: N-[3-chloro-4-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]phenyl]-4-methoxy-3-nitrobenzamide Traditional Name: N-[3-chloro-4-(4-pivaloylpiperazino)phenyl]-4-methoxy-3-nitro-benzamide Formula: C23H27ClN4O5 MolecularWeight: 474.93728

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27ClN4O5/c1-23(2,3)22(30)27-11-9-26(10-12-27)18-7-6-16(14-17(18)24)25-21(29)15-5-8-20(33-4)19(13-15)28(31)32/h5-8,13-14H,9-12H2,1-4H3,(H,25,29)