3-[2-[2-(3-bromanylphenoxy)pyridin-3-yl]-2-oxidanylidene-ethyl]-3H-2-benzofuran-1-one

Systemtic Name: 3-[2-[2-(3-bromanylphenoxy)pyridin-3-yl]-2-oxidanylidene-ethyl]-3H-2-benzofuran-1-one Openeye Name: 3-[2-[2-(3-bromophenoxy)-3-pyridyl]-2-oxo-ethyl]-3H-isobenzofuran-1-one CAS Name: 3-[2-[2-(3-bromophenoxy)-3-pyridinyl]-2-oxoethyl]-3H-isobenzofuran-1-one IUPAC Name: 3-[2-[2-(3-bromophenoxy)pyridin-3-yl]-2-oxoethyl]-3H-2-benzofuran-1-one Traditional Name: 3-[2-[2-(3-bromophenoxy)-3-pyridyl]-2-keto-ethyl]phthalide Formula: C21H14BrNO4 MolecularWeight: 424.24416

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(OC2=O)CC(=O)C3=C(N=CC=C3)OC4=CC(=CC=C4)Br

Isomeric SMILES

C1=CC=C2C(=C1)C(OC2=O)CC(=O)C3=C(N=CC=C3)OC4=CC(=CC=C4)Br

InChI

InChI=1S/C21H14BrNO4/c22-13-5-3-6-14(11-13)26-20-17(9-4-10-23-20)18(24)12-19-15-7-1-2-8-16(15)21(25)27-19/h1-11,19H,12H2