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

Systemtic Name: N-[3-chloranyl-4-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]phenyl]-3-nitro-benzamide Openeye Name: N-[3-chloro-4-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]phenyl]-3-nitro-benzamide CAS Name: N-[3-chloro-4-[4-(2,2-dimethyl-1-oxopropyl)-1-piperazinyl]phenyl]-3-nitrobenzamide IUPAC Name: N-[3-chloro-4-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]phenyl]-3-nitrobenzamide Traditional Name: N-[3-chloro-4-(4-pivaloylpiperazino)phenyl]-3-nitro-benzamide Formula: C22H25ClN4O4 MolecularWeight: 444.9113

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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(=CC=C3)[N+](=O)[O-])Cl

Isomeric SMILES

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

InChI

InChI=1S/C22H25ClN4O4/c1-22(2,3)21(29)26-11-9-25(10-12-26)19-8-7-16(14-18(19)23)24-20(28)15-5-4-6-17(13-15)27(30)31/h4-8,13-14H,9-12H2,1-3H3,(H,24,28)