5-butoxy-3-(1-nitroethyl)-3H-2-benzofuran-1-one

Systemtic Name: 5-butoxy-3-(1-nitroethyl)-3H-2-benzofuran-1-one Openeye Name: 5-butoxy-3-(1-nitroethyl)-3H-isobenzofuran-1-one CAS Name: 5-butoxy-3-(1-nitroethyl)-3H-isobenzofuran-1-one IUPAC Name: 5-butoxy-3-(1-nitroethyl)-3H-2-benzofuran-1-one Traditional Name: 5-butoxy-3-(1-nitroethyl)phthalide Formula: C14H17NO5 MolecularWeight: 279.28848

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC2=C(C=C1)C(=O)OC2C(C)[N+](=O)[O-]

Isomeric SMILES

CCCCOC1=CC2=C(C=C1)C(=O)OC2C(C)[N+](=O)[O-]

InChI

InChI=1S/C14H17NO5/c1-3-4-7-19-10-5-6-11-12(8-10)13(20-14(11)16)9(2)15(17)18/h5-6,8-9,13H,3-4,7H2,1-2H3