N-(1-adamantyl)-2-(4-bromanyl-5-methyl-3-nitro-pyrazol-1-yl)ethanamide

Systemtic Name: N-(1-adamantyl)-2-(4-bromanyl-5-methyl-3-nitro-pyrazol-1-yl)ethanamide Openeye Name: N-(1-adamantyl)-2-(4-bromo-5-methyl-3-nitro-pyrazol-1-yl)acetamide CAS Name: N-(1-adamantyl)-2-(4-bromo-5-methyl-3-nitro-1-pyrazolyl)acetamide IUPAC Name: N-(1-adamantyl)-2-(4-bromo-5-methyl-3-nitropyrazol-1-yl)acetamide Traditional Name: N-(1-adamantyl)-2-(4-bromo-5-methyl-3-nitro-pyrazol-1-yl)acetamide Formula: C16H21BrN4O3 MolecularWeight: 397.26694

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC(=O)NC23CC4CC(C2)CC(C4)C3)[N+](=O)[O-])Br

Isomeric SMILES

CC1=C(C(=NN1CC(=O)NC23CC4CC(C2)CC(C4)C3)[N+](=O)[O-])Br

InChI

InChI=1S/C16H21BrN4O3/c1-9-14(17)15(21(23)24)19-20(9)8-13(22)18-16-5-10-2-11(6-16)4-12(3-10)7-16/h10-12H,2-8H2,1H3,(H,18,22)