1-(2,2-dimethyl-4H-1,3-benzodioxin-5-yl)-2-nitro-ethanol

Systemtic Name: 1-(2,2-dimethyl-4H-1,3-benzodioxin-5-yl)-2-nitro-ethanol Openeye Name: 1-(2,2-dimethyl-4H-1,3-benzodioxin-5-yl)-2-nitro-ethanol CAS Name: 1-(2,2-dimethyl-4H-1,3-benzodioxin-5-yl)-2-nitroethanol IUPAC Name: 1-(2,2-dimethyl-4H-1,3-benzodioxin-5-yl)-2-nitroethanol Traditional Name: 1-(2,2-dimethyl-4H-1,3-benzodioxin-5-yl)-2-nitro-ethanol Formula: C12H15NO5 MolecularWeight: 253.2512

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Descriptors Computed from Structure

Canonical SMILES:

CC1(OCC2=C(C=CC=C2O1)C(C[N+](=O)[O-])O)C

Isomeric SMILES

CC1(OCC2=C(C=CC=C2O1)C(C[N+](=O)[O-])O)C

InChI

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