3-(4-nitrobenzotriazol-1-yl)adamantan-1-ol

Systemtic Name: 3-(4-nitrobenzotriazol-1-yl)adamantan-1-ol Openeye Name: 3-(4-nitrobenzotriazol-1-yl)adamantan-1-ol CAS Name: 3-(4-nitro-1-benzotriazolyl)-1-adamantanol IUPAC Name: 3-(4-nitrobenzotriazol-1-yl)adamantan-1-ol Traditional Name: 3-(4-nitrobenzotriazol-1-yl)adamantan-1-ol Formula: C16H18N4O3 MolecularWeight: 314.33912

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3(CC1CC(C2)(C3)O)N4C5=C(C(=CC=C5)[N+](=O)[O-])N=N4

Isomeric SMILES

C1C2CC3(CC1CC(C2)(C3)O)N4C5=C(C(=CC=C5)[N+](=O)[O-])N=N4

InChI

InChI=1S/C16H18N4O3/c21-16-7-10-4-11(8-16)6-15(5-10,9-16)19-12-2-1-3-13(20(22)23)14(12)17-18-19/h1-3,10-11,21H,4-9H2