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

Systemtic Name: [3-oxidanylidene-2-(pyridin-4-ylmethylidene)-1-benzofuran-6-yl] 2-bromanylbenzoate Openeye Name: [3-oxo-2-(4-pyridylmethylene)benzofuran-6-yl] 2-bromobenzoate CAS Name: 2-bromobenzoic acid [3-oxo-2-(pyridin-4-ylmethylidene)-6-benzofuranyl] ester IUPAC Name: [3-oxo-2-(pyridin-4-ylmethylidene)-1-benzofuran-6-yl] 2-bromobenzoate Traditional Name: 2-bromobenzoic acid [3-keto-2-(4-pyridylmethylene)coumaran-6-yl] ester Formula: C21H12BrNO4 MolecularWeight: 422.22828

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H12BrNO4/c22-17-4-2-1-3-15(17)21(25)26-14-5-6-16-18(12-14)27-19(20(16)24)11-13-7-9-23-10-8-13/h1-12H