5-(1-adamantyl)-1-(4-nitrophenyl)-1,2,3-triazole

Systemtic Name: 5-(1-adamantyl)-1-(4-nitrophenyl)-1,2,3-triazole Openeye Name: 5-(1-adamantyl)-1-(4-nitrophenyl)triazole CAS Name: 5-(1-adamantyl)-1-(4-nitrophenyl)triazole IUPAC Name: 5-(1-adamantyl)-1-(4-nitrophenyl)triazole Traditional Name: 5-(1-adamantyl)-1-(4-nitrophenyl)triazole Formula: C18H20N4O2 MolecularWeight: 324.377

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=CN=NN4C5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=CN=NN4C5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C18H20N4O2/c23-22(24)16-3-1-15(2-4-16)21-17(11-19-20-21)18-8-12-5-13(9-18)7-14(6-12)10-18/h1-4,11-14H,5-10H2