4-[(1R)-3-oxidanylidene-1H-2-benzofuran-1-yl]-5-propyl-1,2-dihydropyrazol-3-one

Systemtic Name: 4-[(1R)-3-oxidanylidene-1H-2-benzofuran-1-yl]-5-propyl-1,2-dihydropyrazol-3-one Openeye Name: 4-[(1R)-3-oxo-1H-isobenzofuran-1-yl]-5-propyl-1,2-dihydropyrazol-3-one CAS Name: 4-[(1R)-3-oxo-1H-isobenzofuran-1-yl]-5-propyl-1,2-dihydropyrazol-3-one IUPAC Name: 4-[(1R)-3-oxo-1H-2-benzofuran-1-yl]-5-propyl-1,2-dihydropyrazol-3-one Traditional Name: 4-[(1R)-3-ketophthalan-1-yl]-5-propyl-3-pyrazolin-3-one Formula: C14H14N2O3 MolecularWeight: 258.27256

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=O)NN1)C2C3=CC=CC=C3C(=O)O2

Isomeric SMILES

CCCC1=C(C(=O)NN1)[C@H]2C3=CC=CC=C3C(=O)O2

InChI

InChI=1S/C14H14N2O3/c1-2-5-10-11(13(17)16-15-10)12-8-6-3-4-7-9(8)14(18)19-12/h3-4,6-7,12H,2,5H2,1H3,(H2,15,16,17)/t12-/m1/s1