2,2,6,7-tetramethyl-5-nitro-1-benzofuran-3-one

Systemtic Name: 2,2,6,7-tetramethyl-5-nitro-1-benzofuran-3-one Openeye Name: 2,2,6,7-tetramethyl-5-nitro-benzofuran-3-one CAS Name: 2,2,6,7-tetramethyl-5-nitro-3-benzofuranone IUPAC Name: 2,2,6,7-tetramethyl-5-nitro-1-benzofuran-3-one Traditional Name: 2,2,6,7-tetramethyl-5-nitro-coumaran-3-one Formula: C12H13NO4 MolecularWeight: 235.23592

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1C)OC(C2=O)(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C2C(=C1C)OC(C2=O)(C)C)[N+](=O)[O-]

InChI

InChI=1S/C12H13NO4/c1-6-7(2)10-8(5-9(6)13(15)16)11(14)12(3,4)17-10/h5H,1-4H3