1-(1-adamantyl)-2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanone

Systemtic Name: 1-(1-adamantyl)-2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanone Openeye Name: 1-(1-adamantyl)-2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanone CAS Name: 1-(1-adamantyl)-2-(3,5-dimethyl-4-nitro-1-pyrazolyl)ethanone IUPAC Name: 1-(1-adamantyl)-2-(3,5-dimethyl-4-nitropyrazol-1-yl)ethanone Traditional Name: 1-(1-adamantyl)-2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanone Formula: C17H23N3O3 MolecularWeight: 317.38282

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC(=O)C23CC4CC(C2)CC(C4)C3)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC(=O)C23CC4CC(C2)CC(C4)C3)C)[N+](=O)[O-]

InChI

InChI=1S/C17H23N3O3/c1-10-16(20(22)23)11(2)19(18-10)9-15(21)17-6-12-3-13(7-17)5-14(4-12)8-17/h12-14H,3-9H2,1-2H3