(1-morpholin-4-yl-1-oxidanylidene-propan-2-yl) 5-bromanyl-3-methyl-1-benzofuran-2-carboxylate

Systemtic Name: (1-morpholin-4-yl-1-oxidanylidene-propan-2-yl) 5-bromanyl-3-methyl-1-benzofuran-2-carboxylate Openeye Name: (1-methyl-2-morpholino-2-oxo-ethyl) 5-bromo-3-methyl-benzofuran-2-carboxylate CAS Name: 5-bromo-3-methyl-2-benzofurancarboxylic acid [1-(4-morpholinyl)-1-oxopropan-2-yl] ester IUPAC Name: (1-morpholin-4-yl-1-oxopropan-2-yl) 5-bromo-3-methyl-1-benzofuran-2-carboxylate Traditional Name: 5-bromo-3-methyl-coumarilic acid (2-keto-1-methyl-2-morpholino-ethyl) ester Formula: C17H18BrNO5 MolecularWeight: 396.23252

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C=C(C=C2)Br)C(=O)OC(C)C(=O)N3CCOCC3

Isomeric SMILES

CC1=C(OC2=C1C=C(C=C2)Br)C(=O)OC(C)C(=O)N3CCOCC3

InChI

InChI=1S/C17H18BrNO5/c1-10-13-9-12(18)3-4-14(13)24-15(10)17(21)23-11(2)16(20)19-5-7-22-8-6-19/h3-4,9,11H,5-8H2,1-2H3