3,3,4,7-tetramethyl-6-nitro-2-benzofuran-1-one

Systemtic Name: 3,3,4,7-tetramethyl-6-nitro-2-benzofuran-1-one Openeye Name: 3,3,4,7-tetramethyl-6-nitro-isobenzofuran-1-one CAS Name: 3,3,4,7-tetramethyl-6-nitro-1-isobenzofuranone IUPAC Name: 3,3,4,7-tetramethyl-6-nitro-2-benzofuran-1-one Traditional Name: 3,3,4,7-tetramethyl-6-nitro-phthalide Formula: C12H13NO4 MolecularWeight: 235.23592

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C2=C1C(OC2=O)(C)C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C2=C1C(OC2=O)(C)C)C)[N+](=O)[O-]

InChI

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