2,2,4,7-tetramethyl-5-nitro-1-benzofuran-3-one

Systemtic Name: 2,2,4,7-tetramethyl-5-nitro-1-benzofuran-3-one Openeye Name: 2,2,4,7-tetramethyl-5-nitro-benzofuran-3-one CAS Name: 2,2,4,7-tetramethyl-5-nitro-3-benzofuranone IUPAC Name: 2,2,4,7-tetramethyl-5-nitro-1-benzofuran-3-one Traditional Name: 2,2,4,7-tetramethyl-5-nitro-coumaran-3-one Formula: C12H13NO4 MolecularWeight: 235.23592

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C2=C1OC(C2=O)(C)C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C2=C1OC(C2=O)(C)C)C)[N+](=O)[O-]

InChI

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