3-nitro-1-(3-phenyl-1-adamantyl)-1,2,4-triazole

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

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3(CC1CC(C2)(C3)N4C=NC(=N4)[N+](=O)[O-])C5=CC=CC=C5

Isomeric SMILES

C1C2CC3(CC1CC(C2)(C3)N4C=NC(=N4)[N+](=O)[O-])C5=CC=CC=C5

InChI

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