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

Systemtic Name: 3-(1-nitroethyl)-5-propyl-3H-2-benzofuran-1-one Openeye Name: 3-(1-nitroethyl)-5-propyl-3H-isobenzofuran-1-one CAS Name: 3-(1-nitroethyl)-5-propyl-3H-isobenzofuran-1-one IUPAC Name: 3-(1-nitroethyl)-5-propyl-3H-2-benzofuran-1-one Traditional Name: 3-(1-nitroethyl)-5-propyl-phthalide Formula: C13H15NO4 MolecularWeight: 249.2625

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC2=C(C=C1)C(=O)OC2C(C)[N+](=O)[O-]

Isomeric SMILES

CCCC1=CC2=C(C=C1)C(=O)OC2C(C)[N+](=O)[O-]

InChI

InChI=1S/C13H15NO4/c1-3-4-9-5-6-10-11(7-9)12(18-13(10)15)8(2)14(16)17/h5-8,12H,3-4H2,1-2H3