5-[(1R,2R)-2-nitrocyclohexyl]-1,3-benzodioxole

Systemtic Name: 5-[(1R,2R)-2-nitrocyclohexyl]-1,3-benzodioxole Openeye Name: 5-[(1R,2R)-2-nitrocyclohexyl]-1,3-benzodioxole CAS Name: 5-[(1R,2R)-2-nitrocyclohexyl]-1,3-benzodioxole IUPAC Name: 5-[(1R,2R)-2-nitrocyclohexyl]-1,3-benzodioxole Traditional Name: 5-[(1R,2R)-2-nitrocyclohexyl]-1,3-benzodioxole Formula: C13H15NO4 MolecularWeight: 249.2625

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)C2=CC3=C(C=C2)OCO3)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C13H15NO4/c15-14(16)11-4-2-1-3-10(11)9-5-6-12-13(7-9)18-8-17-12/h5-7,10-11H,1-4,8H2/t10-,11-/m1/s1