(3E)-5-chloranyl-3-(pyridin-3-ylmethylidene)-2-benzofuran-1-one

Systemtic Name: (3E)-5-chloranyl-3-(pyridin-3-ylmethylidene)-2-benzofuran-1-one Openeye Name: (3E)-5-chloro-3-(3-pyridylmethylene)isobenzofuran-1-one CAS Name: (3E)-5-chloro-3-(3-pyridinylmethylidene)-1-isobenzofuranone IUPAC Name: (3E)-5-chloro-3-(pyridin-3-ylmethylidene)-2-benzofuran-1-one Traditional Name: (3E)-5-chloro-3-(3-pyridylmethylene)phthalide Formula: C14H8ClNO2 MolecularWeight: 257.67182

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)C=C2C3=C(C=CC(=C3)Cl)C(=O)O2

Isomeric SMILES

C1=CC(=CN=C1)/C=C/2\C3=C(C=CC(=C3)Cl)C(=O)O2

InChI

InChI=1S/C14H8ClNO2/c15-10-3-4-11-12(7-10)13(18-14(11)17)6-9-2-1-5-16-8-9/h1-8H/b13-6+