ethyl 5-bromanyl-3-[[5-cyano-3-ethyl-2,6-bis(oxidanylidene)pyrimidin-1-yl]methyl]-1-benzofuran-2-carboxylate

Systemtic Name: ethyl 5-bromanyl-3-[[5-cyano-3-ethyl-2,6-bis(oxidanylidene)pyrimidin-1-yl]methyl]-1-benzofuran-2-carboxylate Openeye Name: ethyl 5-bromo-3-[(5-cyano-3-ethyl-2,6-dioxo-pyrimidin-1-yl)methyl]benzofuran-2-carboxylate CAS Name: 5-bromo-3-[(5-cyano-3-ethyl-2,6-dioxo-1-pyrimidinyl)methyl]-2-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 5-bromo-3-[(5-cyano-3-ethyl-2,6-dioxopyrimidin-1-yl)methyl]-1-benzofuran-2-carboxylate Traditional Name: 5-bromo-3-[(5-cyano-3-ethyl-2,6-diketo-pyrimidin-1-yl)methyl]coumarilic acid ethyl ester Formula: C19H16BrN3O5 MolecularWeight: 446.25144

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)N(C1=O)CC2=C(OC3=C2C=C(C=C3)Br)C(=O)OCC)C#N

Isomeric SMILES

CCN1C=C(C(=O)N(C1=O)CC2=C(OC3=C2C=C(C=C3)Br)C(=O)OCC)C#N

InChI

InChI=1S/C19H16BrN3O5/c1-3-22-9-11(8-21)17(24)23(19(22)26)10-14-13-7-12(20)5-6-15(13)28-16(14)18(25)27-4-2/h5-7,9H,3-4,10H2,1-2H3