3,5,5-trimethyl-N-[4-nitro-2-(phenylcarbonyl)phenyl]hexanamide

Systemtic Name: 3,5,5-trimethyl-N-[4-nitro-2-(phenylcarbonyl)phenyl]hexanamide Openeye Name: N-(2-benzoyl-4-nitro-phenyl)-3,5,5-trimethyl-hexanamide CAS Name: N-(2-benzoyl-4-nitrophenyl)-3,5,5-trimethylhexanamide IUPAC Name: N-(2-benzoyl-4-nitrophenyl)-3,5,5-trimethylhexanamide Traditional Name: N-(2-benzoyl-4-nitro-phenyl)-3,5,5-trimethyl-hexanamide Formula: C22H26N2O4 MolecularWeight: 382.45284

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)C2=CC=CC=C2)CC(C)(C)C

Isomeric SMILES

CC(CC(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)C2=CC=CC=C2)CC(C)(C)C

InChI

InChI=1S/C22H26N2O4/c1-15(14-22(2,3)4)12-20(25)23-19-11-10-17(24(27)28)13-18(19)21(26)16-8-6-5-7-9-16/h5-11,13,15H,12,14H2,1-4H3,(H,23,25)