1-[2-(2-methyl-5-nitro-imidazol-1-yl)ethyl]-4,5,6,7-tetrahydrobenzotriazole

Systemtic Name: 1-[2-(2-methyl-5-nitro-imidazol-1-yl)ethyl]-4,5,6,7-tetrahydrobenzotriazole Openeye Name: 1-[2-(2-methyl-5-nitro-imidazol-1-yl)ethyl]-4,5,6,7-tetrahydrobenzotriazole CAS Name: 1-[2-(2-methyl-5-nitro-1-imidazolyl)ethyl]-4,5,6,7-tetrahydrobenzotriazole IUPAC Name: 1-[2-(2-methyl-5-nitroimidazol-1-yl)ethyl]-4,5,6,7-tetrahydrobenzotriazole Traditional Name: 1-[2-(2-methyl-5-nitro-imidazol-1-yl)ethyl]-4,5,6,7-tetrahydrobenzotriazole Formula: C12H16N6O2 MolecularWeight: 276.29444

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(N1CCN2C3=C(CCCC3)N=N2)[N+](=O)[O-]

Isomeric SMILES

CC1=NC=C(N1CCN2C3=C(CCCC3)N=N2)[N+](=O)[O-]

InChI

InChI=1S/C12H16N6O2/c1-9-13-8-12(18(19)20)16(9)6-7-17-11-5-3-2-4-10(11)14-15-17/h8H,2-7H2,1H3