(3E)-3-(1-pyrimidin-5-ylbutylidene)-2-benzofuran-1-one

Systemtic Name: (3E)-3-(1-pyrimidin-5-ylbutylidene)-2-benzofuran-1-one Openeye Name: (3E)-3-(1-pyrimidin-5-ylbutylidene)isobenzofuran-1-one CAS Name: (3E)-3-[1-(5-pyrimidinyl)butylidene]-1-isobenzofuranone IUPAC Name: (3E)-3-(1-pyrimidin-5-ylbutylidene)-2-benzofuran-1-one Traditional Name: (3E)-3-[1-(5-pyrimidyl)butylidene]phthalide Formula: C16H14N2O2 MolecularWeight: 266.29456

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=C1C2=CC=CC=C2C(=O)O1)C3=CN=CN=C3

Isomeric SMILES

CCC/C(=C\1/C2=CC=CC=C2C(=O)O1)/C3=CN=CN=C3

InChI

InChI=1S/C16H14N2O2/c1-2-5-12(11-8-17-10-18-9-11)15-13-6-3-4-7-14(13)16(19)20-15/h3-4,6-10H,2,5H2,1H3/b15-12+