5,5-dimethyl-2-(4-methyl-3-nitro-phenyl)-1,3,2-dioxaborinane

Systemtic Name: 5,5-dimethyl-2-(4-methyl-3-nitro-phenyl)-1,3,2-dioxaborinane Openeye Name: 5,5-dimethyl-2-(4-methyl-3-nitro-phenyl)-1,3,2-dioxaborinane CAS Name: 5,5-dimethyl-2-(4-methyl-3-nitrophenyl)-1,3,2-dioxaborinane IUPAC Name: 5,5-dimethyl-2-(4-methyl-3-nitrophenyl)-1,3,2-dioxaborinane Traditional Name: 5,5-dimethyl-2-(4-methyl-3-nitro-phenyl)-1,3,2-dioxaborinane Formula: C12H16BNO4 MolecularWeight: 249.07074

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

B1(OCC(CO1)(C)C)C2=CC(=C(C=C2)C)[N+](=O)[O-]

Isomeric SMILES

B1(OCC(CO1)(C)C)C2=CC(=C(C=C2)C)[N+](=O)[O-]

InChI

InChI=1S/C12H16BNO4/c1-9-4-5-10(6-11(9)14(15)16)13-17-7-12(2,3)8-18-13/h4-6H,7-8H2,1-3H3