N-[4-(1-adamantyl)phenyl]-3,4,5-trimethoxy-2-nitro-benzamide

Systemtic Name: N-[4-(1-adamantyl)phenyl]-3,4,5-trimethoxy-2-nitro-benzamide Openeye Name: N-[4-(1-adamantyl)phenyl]-3,4,5-trimethoxy-2-nitro-benzamide CAS Name: N-[4-(1-adamantyl)phenyl]-3,4,5-trimethoxy-2-nitrobenzamide IUPAC Name: N-[4-(1-adamantyl)phenyl]-3,4,5-trimethoxy-2-nitrobenzamide Traditional Name: N-[4-(1-adamantyl)phenyl]-3,4,5-trimethoxy-2-nitro-benzamide Formula: C26H30N2O6 MolecularWeight: 466.5262

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C(=C1)C(=O)NC2=CC=C(C=C2)C34CC5CC(C3)CC(C5)C4)[N+](=O)[O-])OC)OC

Isomeric SMILES

COC1=C(C(=C(C(=C1)C(=O)NC2=CC=C(C=C2)C34CC5CC(C3)CC(C5)C4)[N+](=O)[O-])OC)OC

InChI

InChI=1S/C26H30N2O6/c1-32-21-11-20(22(28(30)31)24(34-3)23(21)33-2)25(29)27-19-6-4-18(5-7-19)26-12-15-8-16(13-26)10-17(9-15)14-26/h4-7,11,15-17H,8-10,12-14H2,1-3H3,(H,27,29)