3-bromanyl-3-[bromanyl-(2,5-dimethoxy-4-nitro-phenyl)methyl]oxolan-2-one

Systemtic Name: 3-bromanyl-3-[bromanyl-(2,5-dimethoxy-4-nitro-phenyl)methyl]oxolan-2-one Openeye Name: 3-bromo-3-[bromo-(2,5-dimethoxy-4-nitro-phenyl)methyl]tetrahydrofuran-2-one CAS Name: 3-bromo-3-[bromo-(2,5-dimethoxy-4-nitrophenyl)methyl]-2-oxolanone IUPAC Name: 3-bromo-3-[bromo-(2,5-dimethoxy-4-nitrophenyl)methyl]oxolan-2-one Traditional Name: 3-bromo-3-[bromo-(2,5-dimethoxy-4-nitro-phenyl)methyl]tetrahydrofuran-2-one Formula: C13H13Br2NO6 MolecularWeight: 439.05342

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C(C2(CCOC2=O)Br)Br)OC)[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=C(C=C1C(C2(CCOC2=O)Br)Br)OC)[N+](=O)[O-]

InChI

InChI=1S/C13H13Br2NO6/c1-20-9-6-8(16(18)19)10(21-2)5-7(9)11(14)13(15)3-4-22-12(13)17/h5-6,11H,3-4H2,1-2H3