(3S,5R)-4-(4-nitro-1H-pyrazol-5-yl)adamantan-1-ol

Systemtic Name: (3S,5R)-4-(4-nitro-1H-pyrazol-5-yl)adamantan-1-ol Openeye Name: (3S,5R)-4-(4-nitro-1H-pyrazol-5-yl)adamantan-1-ol CAS Name: (3S,5R)-4-(4-nitro-1H-pyrazol-5-yl)-1-adamantanol IUPAC Name: (3S,5R)-4-(4-nitro-1H-pyrazol-5-yl)adamantan-1-ol Traditional Name: (3S,5R)-4-(4-nitro-1H-pyrazol-5-yl)adamantan-1-ol Formula: C13H17N3O3 MolecularWeight: 263.29238

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC(C2)(CC1C3C4=C(C=NN4)[N+](=O)[O-])O

Isomeric SMILES

C1[C@@H]2CC3(C[C@@H](C2C4=C(C=NN4)[N+](=O)[O-])CC1C3)O

InChI

InChI=1S/C13H17N3O3/c17-13-3-7-1-8(4-13)11(9(2-7)5-13)12-10(16(18)19)6-14-15-12/h6-9,11,17H,1-5H2,(H,14,15)/t7?,8-,9+,11?,13?