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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)C=C2C(=O)C3=C(O2)C=C(C=C3)OC(=O)C4=CC=C(C=C4)Br

Isomeric SMILES

C1=CC(=CN=C1)C=C2C(=O)C3=C(O2)C=C(C=C3)OC(=O)C4=CC=C(C=C4)Br

InChI

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