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

Systemtic Name: 3-(1-nitroethyl)-5-pentyl-3H-2-benzofuran-1-one Openeye Name: 3-(1-nitroethyl)-5-pentyl-3H-isobenzofuran-1-one CAS Name: 3-(1-nitroethyl)-5-pentyl-3H-isobenzofuran-1-one IUPAC Name: 3-(1-nitroethyl)-5-pentyl-3H-2-benzofuran-1-one Traditional Name: 5-amyl-3-(1-nitroethyl)phthalide Formula: C15H19NO4 MolecularWeight: 277.31566

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC2=C(C=C1)C(=O)OC2C(C)[N+](=O)[O-]

Isomeric SMILES

CCCCCC1=CC2=C(C=C1)C(=O)OC2C(C)[N+](=O)[O-]

InChI

InChI=1S/C15H19NO4/c1-3-4-5-6-11-7-8-12-13(9-11)14(20-15(12)17)10(2)16(18)19/h7-10,14H,3-6H2,1-2H3