3-(5-methyl-3-nitro-1,2,4-triazol-1-yl)adamantan-1-ol

Systemtic Name: 3-(5-methyl-3-nitro-1,2,4-triazol-1-yl)adamantan-1-ol Openeye Name: 3-(5-methyl-3-nitro-1,2,4-triazol-1-yl)adamantan-1-ol CAS Name: 3-(5-methyl-3-nitro-1,2,4-triazol-1-yl)-1-adamantanol IUPAC Name: 3-(5-methyl-3-nitro-1,2,4-triazol-1-yl)adamantan-1-ol Traditional Name: 3-(5-methyl-3-nitro-1,2,4-triazol-1-yl)adamantan-1-ol Formula: C13H18N4O3 MolecularWeight: 278.30702

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18N4O3/c1-8-14-11(17(19)20)15-16(8)12-3-9-2-10(4-12)6-13(18,5-9)7-12/h9-10,18H,2-7H2,1H3