N-[4-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]phenyl]-3,5-dinitro-benzamide

Systemtic Name: N-[4-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]phenyl]-3,5-dinitro-benzamide Openeye Name: N-[4-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]phenyl]-3,5-dinitro-benzamide CAS Name: N-[4-[4-(3,3-dimethyl-1-oxobutyl)-1-piperazinyl]phenyl]-3,5-dinitrobenzamide IUPAC Name: N-[4-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]phenyl]-3,5-dinitrobenzamide Traditional Name: N-[4-[4-(3,3-dimethylbutanoyl)piperazino]phenyl]-3,5-dinitro-benzamide Formula: C23H27N5O6 MolecularWeight: 469.49038

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27N5O6/c1-23(2,3)15-21(29)26-10-8-25(9-11-26)18-6-4-17(5-7-18)24-22(30)16-12-19(27(31)32)14-20(13-16)28(33)34/h4-7,12-14H,8-11,15H2,1-3H3,(H,24,30)