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

Systemtic Name: [(2Z)-4-methyl-3-oxidanylidene-2-(pyridin-3-ylmethylidene)-1-benzofuran-6-yl] 3,4-dimethoxybenzoate Openeye Name: [(2Z)-4-methyl-3-oxo-2-(3-pyridylmethylene)benzofuran-6-yl] 3,4-dimethoxybenzoate CAS Name: 3,4-dimethoxybenzoic acid [(2Z)-4-methyl-3-oxo-2-(3-pyridinylmethylidene)-6-benzofuranyl] ester IUPAC Name: [(2Z)-4-methyl-3-oxo-2-(pyridin-3-ylmethylidene)-1-benzofuran-6-yl] 3,4-dimethoxybenzoate Traditional Name: 3,4-dimethoxybenzoic acid [(2Z)-3-keto-4-methyl-2-(3-pyridylmethylene)coumaran-6-yl] ester Formula: C24H19NO6 MolecularWeight: 417.41076

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC2=C1C(=O)C(=CC3=CN=CC=C3)O2)OC(=O)C4=CC(=C(C=C4)OC)OC

Isomeric SMILES

CC1=CC(=CC2=C1C(=O)/C(=C/C3=CN=CC=C3)/O2)OC(=O)C4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C24H19NO6/c1-14-9-17(30-24(27)16-6-7-18(28-2)19(11-16)29-3)12-20-22(14)23(26)21(31-20)10-15-5-4-8-25-13-15/h4-13H,1-3H3/b21-10-