1-(3-bromanyl-1-adamantyl)-5-methyl-3-nitro-1,2,4-triazole

Systemtic Name: 1-(3-bromanyl-1-adamantyl)-5-methyl-3-nitro-1,2,4-triazole Openeye Name: 1-(3-bromo-1-adamantyl)-5-methyl-3-nitro-1,2,4-triazole CAS Name: 1-(3-bromo-1-adamantyl)-5-methyl-3-nitro-1,2,4-triazole IUPAC Name: 1-(3-bromo-1-adamantyl)-5-methyl-3-nitro-1,2,4-triazole Traditional Name: 1-(3-bromo-1-adamantyl)-5-methyl-3-nitro-1,2,4-triazole Formula: C13H17BrN4O2 MolecularWeight: 341.20368

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NN1C23CC4CC(C2)CC(C4)(C3)Br)[N+](=O)[O-]

Isomeric SMILES

CC1=NC(=NN1C23CC4CC(C2)CC(C4)(C3)Br)[N+](=O)[O-]

InChI

InChI=1S/C13H17BrN4O2/c1-8-15-11(18(19)20)16-17(8)13-5-9-2-10(6-13)4-12(14,3-9)7-13/h9-10H,2-7H2,1H3