1-(2,2-dimethyl-4H-1,3-benzodioxin-6-yl)-2-nitro-ethanol

Systemtic Name: 1-(2,2-dimethyl-4H-1,3-benzodioxin-6-yl)-2-nitro-ethanol Openeye Name: 1-(2,2-dimethyl-4H-1,3-benzodioxin-6-yl)-2-nitro-ethanol CAS Name: 1-(2,2-dimethyl-4H-1,3-benzodioxin-6-yl)-2-nitroethanol IUPAC Name: 1-(2,2-dimethyl-4H-1,3-benzodioxin-6-yl)-2-nitroethanol Traditional Name: 1-(2,2-dimethyl-4H-1,3-benzodioxin-6-yl)-2-nitro-ethanol Formula: C12H15NO5 MolecularWeight: 253.2512

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(OCC2=C(O1)C=CC(=C2)C(C[N+](=O)[O-])O)C

Isomeric SMILES

CC1(OCC2=C(O1)C=CC(=C2)C(C[N+](=O)[O-])O)C

InChI

InChI=1S/C12H15NO5/c1-12(2)17-7-9-5-8(3-4-11(9)18-12)10(14)6-13(15)16/h3-5,10,14H,6-7H2,1-2H3