ethyl 5-bromanyl-3-[(4-oxidanylidene-[1]benzofuro[3,2-d]pyrimidin-3-yl)methyl]-1-benzofuran-2-carboxylate

Systemtic Name: ethyl 5-bromanyl-3-[(4-oxidanylidene-[1]benzofuro[3,2-d]pyrimidin-3-yl)methyl]-1-benzofuran-2-carboxylate Openeye Name: ethyl 5-bromo-3-[(4-oxobenzofuro[3,2-d]pyrimidin-3-yl)methyl]benzofuran-2-carboxylate CAS Name: 5-bromo-3-[(4-oxo-3-benzofuro[3,2-d]pyrimidinyl)methyl]-2-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 5-bromo-3-[(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)methyl]-1-benzofuran-2-carboxylate Traditional Name: 5-bromo-3-[(4-ketobenzofuro[3,2-d]pyrimidin-3-yl)methyl]coumarilic acid ethyl ester Formula: C22H15BrN2O5 MolecularWeight: 467.2689

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(O1)C=CC(=C2)Br)CN3C=NC4=C(C3=O)OC5=CC=CC=C54

Isomeric SMILES

CCOC(=O)C1=C(C2=C(O1)C=CC(=C2)Br)CN3C=NC4=C(C3=O)OC5=CC=CC=C54

InChI

InChI=1S/C22H15BrN2O5/c1-2-28-22(27)19-15(14-9-12(23)7-8-17(14)29-19)10-25-11-24-18-13-5-3-4-6-16(13)30-20(18)21(25)26/h3-9,11H,2,10H2,1H3