3-butyl-6-nitro-3H-2-benzofuran-1-one

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)O1

Isomeric SMILES

CCCCC1C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)O1

InChI

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