3,3-diethyl-6-nitro-2-benzofuran-1-one

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)O1)CC

Isomeric SMILES

CCC1(C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)O1)CC

InChI

InChI=1S/C12H13NO4/c1-3-12(4-2)10-6-5-8(13(15)16)7-9(10)11(14)17-12/h5-7H,3-4H2,1-2H3