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

Systemtic Name: N-[3-chloranyl-4-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]phenyl]-4-ethoxy-3-nitro-benzamide Openeye Name: N-[3-chloro-4-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]phenyl]-4-ethoxy-3-nitro-benzamide CAS Name: N-[3-chloro-4-[4-(2,2-dimethyl-1-oxopropyl)-1-piperazinyl]phenyl]-4-ethoxy-3-nitrobenzamide IUPAC Name: N-[3-chloro-4-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]phenyl]-4-ethoxy-3-nitrobenzamide Traditional Name: N-[3-chloro-4-(4-pivaloylpiperazino)phenyl]-4-ethoxy-3-nitro-benzamide Formula: C24H29ClN4O5 MolecularWeight: 488.96386

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)NC2=CC(=C(C=C2)N3CCN(CC3)C(=O)C(C)(C)C)Cl)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)NC2=CC(=C(C=C2)N3CCN(CC3)C(=O)C(C)(C)C)Cl)[N+](=O)[O-]

InChI

InChI=1S/C24H29ClN4O5/c1-5-34-21-9-6-16(14-20(21)29(32)33)22(30)26-17-7-8-19(18(25)15-17)27-10-12-28(13-11-27)23(31)24(2,3)4/h6-9,14-15H,5,10-13H2,1-4H3,(H,26,30)