(1R,2R,3R)-3-(1,3-benzodioxol-5-yl)-2-nitro-cyclohexan-1-ol

Systemtic Name: (1R,2R,3R)-3-(1,3-benzodioxol-5-yl)-2-nitro-cyclohexan-1-ol Openeye Name: (1R,2R,3R)-3-(1,3-benzodioxol-5-yl)-2-nitro-cyclohexanol CAS Name: (1R,2R,3R)-3-(1,3-benzodioxol-5-yl)-2-nitro-1-cyclohexanol IUPAC Name: (1R,2R,3R)-3-(1,3-benzodioxol-5-yl)-2-nitrocyclohexan-1-ol Traditional Name: (1R,2R,3R)-3-(1,3-benzodioxol-5-yl)-2-nitro-cyclohexanol Formula: C13H15NO5 MolecularWeight: 265.2619

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(C(C1)O)[N+](=O)[O-])C2=CC3=C(C=C2)OCO3

Isomeric SMILES

C1C[C@@H]([C@H]([C@@H](C1)O)[N+](=O)[O-])C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C13H15NO5/c15-10-3-1-2-9(13(10)14(16)17)8-4-5-11-12(6-8)19-7-18-11/h4-6,9-10,13,15H,1-3,7H2/t9-,10-,13-/m1/s1