tert-butyl 2-[[(2Z)-3-oxidanylidene-2-(pyridin-4-ylmethylidene)-1-benzofuran-6-yl]oxy]ethanoate

Systemtic Name: tert-butyl 2-[[(2Z)-3-oxidanylidene-2-(pyridin-4-ylmethylidene)-1-benzofuran-6-yl]oxy]ethanoate Openeye Name: tert-butyl 2-[(2Z)-3-oxo-2-(4-pyridylmethylene)benzofuran-6-yl]oxyacetate CAS Name: 2-[[(2Z)-3-oxo-2-(pyridin-4-ylmethylidene)-6-benzofuranyl]oxy]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[[(2Z)-3-oxo-2-(pyridin-4-ylmethylidene)-1-benzofuran-6-yl]oxy]acetate Traditional Name: 2-[(2Z)-3-keto-2-(4-pyridylmethylene)coumaran-6-yl]oxyacetic acid tert-butyl ester Formula: C20H19NO5 MolecularWeight: 353.36856

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)COC1=CC2=C(C=C1)C(=O)C(=CC3=CC=NC=C3)O2

Isomeric SMILES

CC(C)(C)OC(=O)COC1=CC2=C(C=C1)C(=O)/C(=C/C3=CC=NC=C3)/O2

InChI

InChI=1S/C20H19NO5/c1-20(2,3)26-18(22)12-24-14-4-5-15-16(11-14)25-17(19(15)23)10-13-6-8-21-9-7-13/h4-11H,12H2,1-3H3/b17-10-