3,6,6-trimethyl-2-nitro-2,3,5,7-tetrahydro-1-benzofuran-4-one

Systemtic Name: 3,6,6-trimethyl-2-nitro-2,3,5,7-tetrahydro-1-benzofuran-4-one Openeye Name: 3,6,6-trimethyl-2-nitro-2,3,5,7-tetrahydrobenzofuran-4-one CAS Name: 3,6,6-trimethyl-2-nitro-2,3,5,7-tetrahydrobenzofuran-4-one IUPAC Name: 3,6,6-trimethyl-2-nitro-2,3,5,7-tetrahydro-1-benzofuran-4-one Traditional Name: 3,6,6-trimethyl-2-nitro-2,3,5,7-tetrahydrobenzofuran-4-one Formula: C11H15NO4 MolecularWeight: 225.2411

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(OC2=C1C(=O)CC(C2)(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1C(OC2=C1C(=O)CC(C2)(C)C)[N+](=O)[O-]

InChI

InChI=1S/C11H15NO4/c1-6-9-7(13)4-11(2,3)5-8(9)16-10(6)12(14)15/h6,10H,4-5H2,1-3H3