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

Systemtic Name: 1-(3-chloranyl-1-adamantyl)-3-nitro-1,2,4-triazole Openeye Name: 1-(3-chloro-1-adamantyl)-3-nitro-1,2,4-triazole CAS Name: 1-(3-chloro-1-adamantyl)-3-nitro-1,2,4-triazole IUPAC Name: 1-(3-chloro-1-adamantyl)-3-nitro-1,2,4-triazole Traditional Name: 1-(3-chloro-1-adamantyl)-3-nitro-1,2,4-triazole Formula: C12H15ClN4O2 MolecularWeight: 282.7261

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15ClN4O2/c13-11-2-8-1-9(3-11)5-12(4-8,6-11)16-7-14-10(15-16)17(18)19/h7-9H,1-6H2