1-(1,3-benzodioxol-5-yl)-2-nitro-ethanol

Systemtic Name: 1-(1,3-benzodioxol-5-yl)-2-nitro-ethanol Openeye Name: 1-(1,3-benzodioxol-5-yl)-2-nitro-ethanol CAS Name: 1-(1,3-benzodioxol-5-yl)-2-nitroethanol IUPAC Name: 1-(1,3-benzodioxol-5-yl)-2-nitroethanol Traditional Name: 1-(1,3-benzodioxol-5-yl)-2-nitro-ethanol Formula: C9H9NO5 MolecularWeight: 211.17146

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(C[N+](=O)[O-])O

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C(C[N+](=O)[O-])O

InChI

InChI=1S/C9H9NO5/c11-7(4-10(12)13)6-1-2-8-9(3-6)15-5-14-8/h1-3,7,11H,4-5H2