N-[[3-(4-methylphenyl)-1-adamantyl]methyl]-3-nitro-benzamide

Systemtic Name: N-[[3-(4-methylphenyl)-1-adamantyl]methyl]-3-nitro-benzamide Openeye Name: 3-nitro-N-[[3-(p-tolyl)-1-adamantyl]methyl]benzamide CAS Name: N-[[3-(4-methylphenyl)-1-adamantyl]methyl]-3-nitrobenzamide IUPAC Name: N-[[3-(4-methylphenyl)-1-adamantyl]methyl]-3-nitrobenzamide Traditional Name: 3-nitro-N-[[3-(p-tolyl)-1-adamantyl]methyl]benzamide Formula: C25H28N2O3 MolecularWeight: 404.50142

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C23CC4CC(C2)CC(C4)(C3)CNC(=O)C5=CC(=CC=C5)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C23CC4CC(C2)CC(C4)(C3)CNC(=O)C5=CC(=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C25H28N2O3/c1-17-5-7-21(8-6-17)25-13-18-9-19(14-25)12-24(11-18,15-25)16-26-23(28)20-3-2-4-22(10-20)27(29)30/h2-8,10,18-19H,9,11-16H2,1H3,(H,26,28)