[3-oxidanylidene-2-(pyridin-4-ylmethylidene)-1-benzofuran-6-yl] 3,4-dimethoxybenzoate

Systemtic Name: [3-oxidanylidene-2-(pyridin-4-ylmethylidene)-1-benzofuran-6-yl] 3,4-dimethoxybenzoate Openeye Name: [3-oxo-2-(4-pyridylmethylene)benzofuran-6-yl] 3,4-dimethoxybenzoate CAS Name: 3,4-dimethoxybenzoic acid [3-oxo-2-(pyridin-4-ylmethylidene)-6-benzofuranyl] ester IUPAC Name: [3-oxo-2-(pyridin-4-ylmethylidene)-1-benzofuran-6-yl] 3,4-dimethoxybenzoate Traditional Name: 3,4-dimethoxybenzoic acid [3-keto-2-(4-pyridylmethylene)coumaran-6-yl] ester Formula: C23H17NO6 MolecularWeight: 403.38418

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)OC2=CC3=C(C=C2)C(=O)C(=CC4=CC=NC=C4)O3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)OC2=CC3=C(C=C2)C(=O)C(=CC4=CC=NC=C4)O3)OC

InChI

InChI=1S/C23H17NO6/c1-27-18-6-3-15(12-20(18)28-2)23(26)29-16-4-5-17-19(13-16)30-21(22(17)25)11-14-7-9-24-10-8-14/h3-13H,1-2H3