3-(3,5-dimethyl-4-nitro-pyrazol-1-yl)adamantan-1-ol

Systemtic Name: 3-(3,5-dimethyl-4-nitro-pyrazol-1-yl)adamantan-1-ol Openeye Name: 3-(3,5-dimethyl-4-nitro-pyrazol-1-yl)adamantan-1-ol CAS Name: 3-(3,5-dimethyl-4-nitro-1-pyrazolyl)-1-adamantanol IUPAC Name: 3-(3,5-dimethyl-4-nitropyrazol-1-yl)adamantan-1-ol Traditional Name: 3-(3,5-dimethyl-4-nitro-pyrazol-1-yl)adamantan-1-ol Formula: C15H21N3O3 MolecularWeight: 291.34554

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C23CC4CC(C2)CC(C4)(C3)O)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1C23CC4CC(C2)CC(C4)(C3)O)C)[N+](=O)[O-]

InChI

InChI=1S/C15H21N3O3/c1-9-13(18(20)21)10(2)17(16-9)14-4-11-3-12(5-14)7-15(19,6-11)8-14/h11-12,19H,3-8H2,1-2H3