4-(1,3-benzodioxol-5-yl)-5-nitro-cyclohexane-1,2-diol

Systemtic Name: 4-(1,3-benzodioxol-5-yl)-5-nitro-cyclohexane-1,2-diol Openeye Name: 4-(1,3-benzodioxol-5-yl)-5-nitro-cyclohexane-1,2-diol CAS Name: 4-(1,3-benzodioxol-5-yl)-5-nitrocyclohexane-1,2-diol IUPAC Name: 4-(1,3-benzodioxol-5-yl)-5-nitrocyclohexane-1,2-diol Traditional Name: 4-(1,3-benzodioxol-5-yl)-5-nitro-cyclohexane-1,2-diol Formula: C13H15NO6 MolecularWeight: 281.2613

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(CC(C1O)O)[N+](=O)[O-])C2=CC3=C(C=C2)OCO3

Isomeric SMILES

C1C(C(CC(C1O)O)[N+](=O)[O-])C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C13H15NO6/c15-10-4-8(9(14(17)18)5-11(10)16)7-1-2-12-13(3-7)20-6-19-12/h1-3,8-11,15-16H,4-6H2