4-(1-adamantyl)-5-(2-methoxyphenyl)-3-(4-nitrophenyl)-5H-1,2,4-oxadiazole

Systemtic Name: 4-(1-adamantyl)-5-(2-methoxyphenyl)-3-(4-nitrophenyl)-5H-1,2,4-oxadiazole Openeye Name: 4-(1-adamantyl)-5-(2-methoxyphenyl)-3-(4-nitrophenyl)-5H-1,2,4-oxadiazole CAS Name: 4-(1-adamantyl)-5-(2-methoxyphenyl)-3-(4-nitrophenyl)-5H-1,2,4-oxadiazole IUPAC Name: 4-(1-adamantyl)-5-(2-methoxyphenyl)-3-(4-nitrophenyl)-5H-1,2,4-oxadiazole Traditional Name: 4-(1-adamantyl)-5-(2-methoxyphenyl)-3-(4-nitrophenyl)-5H-1,2,4-oxadiazole Formula: C25H27N3O4 MolecularWeight: 433.49958

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C2N(C(=NO2)C3=CC=C(C=C3)[N+](=O)[O-])C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

COC1=CC=CC=C1C2N(C(=NO2)C3=CC=C(C=C3)[N+](=O)[O-])C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C25H27N3O4/c1-31-22-5-3-2-4-21(22)24-27(25-13-16-10-17(14-25)12-18(11-16)15-25)23(26-32-24)19-6-8-20(9-7-19)28(29)30/h2-9,16-18,24H,10-15H2,1H3