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

Systemtic Name: 1-(1-adamantyl)-5-bromanyl-3-nitro-1,2,4-triazole Openeye Name: 1-(1-adamantyl)-5-bromo-3-nitro-1,2,4-triazole CAS Name: 1-(1-adamantyl)-5-bromo-3-nitro-1,2,4-triazole IUPAC Name: 1-(1-adamantyl)-5-bromo-3-nitro-1,2,4-triazole Traditional Name: 1-(1-adamantyl)-5-bromo-3-nitro-1,2,4-triazole Formula: C12H15BrN4O2 MolecularWeight: 327.1771

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)N4C(=NC(=N4)[N+](=O)[O-])Br

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)N4C(=NC(=N4)[N+](=O)[O-])Br

InChI

InChI=1S/C12H15BrN4O2/c13-10-14-11(17(18)19)15-16(10)12-4-7-1-8(5-12)3-9(2-7)6-12/h7-9H,1-6H2