2-(1-adamantyl)-5-nitro-1H-1,2,4-triazol-3-one

Systemtic Name: 2-(1-adamantyl)-5-nitro-1H-1,2,4-triazol-3-one Openeye Name: 2-(1-adamantyl)-5-nitro-1H-1,2,4-triazol-3-one CAS Name: 2-(1-adamantyl)-5-nitro-1H-1,2,4-triazol-3-one IUPAC Name: 2-(1-adamantyl)-5-nitro-1H-1,2,4-triazol-3-one Traditional Name: 2-(1-adamantyl)-5-nitro-1H-1,2,4-triazol-3-one Formula: C12H16N4O3 MolecularWeight: 264.28044

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16N4O3/c17-11-13-10(16(18)19)14-15(11)12-4-7-1-8(5-12)3-9(2-7)6-12/h7-9H,1-6H2,(H,13,14,17)