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

Systemtic Name: 2-chloranyl-N-[4-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]phenyl]-4-nitro-benzamide Openeye Name: 2-chloro-N-[4-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]phenyl]-4-nitro-benzamide CAS Name: 2-chloro-N-[4-[4-(3,3-dimethyl-1-oxobutyl)-1-piperazinyl]phenyl]-4-nitrobenzamide IUPAC Name: 2-chloro-N-[4-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]phenyl]-4-nitrobenzamide Traditional Name: 2-chloro-N-[4-[4-(3,3-dimethylbutanoyl)piperazino]phenyl]-4-nitro-benzamide Formula: C23H27ClN4O4 MolecularWeight: 458.93788

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27ClN4O4/c1-23(2,3)15-21(29)27-12-10-26(11-13-27)17-6-4-16(5-7-17)25-22(30)19-9-8-18(28(31)32)14-20(19)24/h4-9,14H,10-13,15H2,1-3H3,(H,25,30)