[(2Z)-3-oxidanylidene-2-(pyridin-3-ylmethylidene)-1-benzofuran-6-yl] 2-methylbenzoate

Systemtic Name: [(2Z)-3-oxidanylidene-2-(pyridin-3-ylmethylidene)-1-benzofuran-6-yl] 2-methylbenzoate Openeye Name: [(2Z)-3-oxo-2-(3-pyridylmethylene)benzofuran-6-yl] 2-methylbenzoate CAS Name: 2-methylbenzoic acid [(2Z)-3-oxo-2-(3-pyridinylmethylidene)-6-benzofuranyl] ester IUPAC Name: [(2Z)-3-oxo-2-(pyridin-3-ylmethylidene)-1-benzofuran-6-yl] 2-methylbenzoate Traditional Name: 2-methylbenzoic acid [(2Z)-3-keto-2-(3-pyridylmethylene)coumaran-6-yl] ester Formula: C22H15NO4 MolecularWeight: 357.3588

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)OC2=CC3=C(C=C2)C(=O)C(=CC4=CN=CC=C4)O3

Isomeric SMILES

CC1=CC=CC=C1C(=O)OC2=CC3=C(C=C2)C(=O)/C(=C/C4=CN=CC=C4)/O3

InChI

InChI=1S/C22H15NO4/c1-14-5-2-3-7-17(14)22(25)26-16-8-9-18-19(12-16)27-20(21(18)24)11-15-6-4-10-23-13-15/h2-13H,1H3/b20-11-