1-(1-adamantyl)-2-(2-methyl-4-nitro-imidazol-1-yl)ethanone

Systemtic Name: 1-(1-adamantyl)-2-(2-methyl-4-nitro-imidazol-1-yl)ethanone Openeye Name: 1-(1-adamantyl)-2-(2-methyl-4-nitro-imidazol-1-yl)ethanone CAS Name: 1-(1-adamantyl)-2-(2-methyl-4-nitro-1-imidazolyl)ethanone IUPAC Name: 1-(1-adamantyl)-2-(2-methyl-4-nitroimidazol-1-yl)ethanone Traditional Name: 1-(1-adamantyl)-2-(2-methyl-4-nitro-imidazol-1-yl)ethanone Formula: C16H21N3O3 MolecularWeight: 303.35624

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CN1CC(=O)C23CC4CC(C2)CC(C4)C3)[N+](=O)[O-]

Isomeric SMILES

CC1=NC(=CN1CC(=O)C23CC4CC(C2)CC(C4)C3)[N+](=O)[O-]

InChI

InChI=1S/C16H21N3O3/c1-10-17-15(19(21)22)9-18(10)8-14(20)16-5-11-2-12(6-16)4-13(3-11)7-16/h9,11-13H,2-8H2,1H3