(3S)-3-(2-oxidanylidene-2-pyridin-4-yl-ethyl)-3H-2-benzofuran-1-one

Systemtic Name: (3S)-3-(2-oxidanylidene-2-pyridin-4-yl-ethyl)-3H-2-benzofuran-1-one Openeye Name: (3S)-3-[2-oxo-2-(4-pyridyl)ethyl]-3H-isobenzofuran-1-one CAS Name: (3S)-3-(2-oxo-2-pyridin-4-ylethyl)-3H-isobenzofuran-1-one IUPAC Name: (3S)-3-(2-oxo-2-pyridin-4-ylethyl)-3H-2-benzofuran-1-one Traditional Name: (3S)-3-[2-keto-2-(4-pyridyl)ethyl]phthalide Formula: C15H11NO3 MolecularWeight: 253.25274

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(OC2=O)CC(=O)C3=CC=NC=C3

Isomeric SMILES

C1=CC=C2C(=C1)[C@@H](OC2=O)CC(=O)C3=CC=NC=C3

InChI

InChI=1S/C15H11NO3/c17-13(10-5-7-16-8-6-10)9-14-11-3-1-2-4-12(11)15(18)19-14/h1-8,14H,9H2/t14-/m0/s1