4-bromanyl-3,6-dimethyl-5-nitro-6-oxidanyl-cyclohex-3-ene-1,2-dione

Systemtic Name: 4-bromanyl-3,6-dimethyl-5-nitro-6-oxidanyl-cyclohex-3-ene-1,2-dione Openeye Name: 4-bromo-6-hydroxy-3,6-dimethyl-5-nitro-cyclohex-3-ene-1,2-dione CAS Name: 4-bromo-6-hydroxy-3,6-dimethyl-5-nitrocyclohex-3-ene-1,2-dione IUPAC Name: 4-bromo-6-hydroxy-3,6-dimethyl-5-nitrocyclohex-3-ene-1,2-dione Traditional Name: 4-bromo-6-hydroxy-3,6-dimethyl-5-nitro-cyclohex-3-ene-1,2-quinone Formula: C8H8BrNO5 MolecularWeight: 278.05682

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(C(=O)C1=O)(C)O)[N+](=O)[O-])Br

Isomeric SMILES

CC1=C(C(C(C(=O)C1=O)(C)O)[N+](=O)[O-])Br

InChI

InChI=1S/C8H8BrNO5/c1-3-4(9)6(10(14)15)8(2,13)7(12)5(3)11/h6,13H,1-2H3