4,7-bis(chloranyl)-1-(4,6-dimethoxypyrimidin-2-yl)-3-oxidanylidene-2-benzofuran-1-carbonitrile

Systemtic Name: 4,7-bis(chloranyl)-1-(4,6-dimethoxypyrimidin-2-yl)-3-oxidanylidene-2-benzofuran-1-carbonitrile Openeye Name: 4,7-dichloro-1-(4,6-dimethoxypyrimidin-2-yl)-3-oxo-isobenzofuran-1-carbonitrile CAS Name: 4,7-dichloro-1-(4,6-dimethoxy-2-pyrimidinyl)-3-oxo-1-isobenzofurancarbonitrile IUPAC Name: 4,7-dichloro-1-(4,6-dimethoxypyrimidin-2-yl)-3-oxo-2-benzofuran-1-carbonitrile Traditional Name: 4,7-dichloro-1-(4,6-dimethoxypyrimidin-2-yl)-3-keto-phthalan-1-carbonitrile Formula: C15H9Cl2N3O4 MolecularWeight: 366.15566

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=NC(=N1)C2(C3=C(C=CC(=C3C(=O)O2)Cl)Cl)C#N)OC

Isomeric SMILES

COC1=CC(=NC(=N1)C2(C3=C(C=CC(=C3C(=O)O2)Cl)Cl)C#N)OC

InChI

InChI=1S/C15H9Cl2N3O4/c1-22-9-5-10(23-2)20-14(19-9)15(6-18)12-8(17)4-3-7(16)11(12)13(21)24-15/h3-5H,1-2H3