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

Systemtic Name: [4,7-bis(chloranyl)-1-(4,6-dimethoxypyrimidin-2-yl)-3-oxidanylidene-2-benzofuran-1-yl] butanoate Openeye Name: [4,7-dichloro-1-(4,6-dimethoxypyrimidin-2-yl)-3-oxo-isobenzofuran-1-yl] butanoate CAS Name: butanoic acid [4,7-dichloro-1-(4,6-dimethoxy-2-pyrimidinyl)-3-oxo-1-isobenzofuranyl] ester IUPAC Name: [4,7-dichloro-1-(4,6-dimethoxypyrimidin-2-yl)-3-oxo-2-benzofuran-1-yl] butanoate Traditional Name: butyric acid [4,7-dichloro-1-(4,6-dimethoxypyrimidin-2-yl)-3-keto-phthalan-1-yl] ester Formula: C18H16Cl2N2O6 MolecularWeight: 427.23544

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)OC1(C2=C(C=CC(=C2C(=O)O1)Cl)Cl)C3=NC(=CC(=N3)OC)OC

Isomeric SMILES

CCCC(=O)OC1(C2=C(C=CC(=C2C(=O)O1)Cl)Cl)C3=NC(=CC(=N3)OC)OC

InChI

InChI=1S/C18H16Cl2N2O6/c1-4-5-13(23)27-18(17-21-11(25-2)8-12(22-17)26-3)15-10(20)7-6-9(19)14(15)16(24)28-18/h6-8H,4-5H2,1-3H3