ethyl 6-bromanyl-7-(dimethylamino)-2-methyl-4,5-bis(oxidanyl)-1-benzofuran-3-carboxylate

Systemtic Name: ethyl 6-bromanyl-7-(dimethylamino)-2-methyl-4,5-bis(oxidanyl)-1-benzofuran-3-carboxylate Openeye Name: ethyl 6-bromo-7-(dimethylamino)-4,5-dihydroxy-2-methyl-benzofuran-3-carboxylate CAS Name: 6-bromo-7-(dimethylamino)-4,5-dihydroxy-2-methyl-3-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 6-bromo-7-(dimethylamino)-4,5-dihydroxy-2-methyl-1-benzofuran-3-carboxylate Traditional Name: 6-bromo-7-(dimethylamino)-4,5-dihydroxy-2-methyl-benzofuran-3-carboxylic acid ethyl ester Formula: C14H16BrNO5 MolecularWeight: 358.18454

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC2=C1C(=C(C(=C2N(C)C)Br)O)O)C

Isomeric SMILES

CCOC(=O)C1=C(OC2=C1C(=C(C(=C2N(C)C)Br)O)O)C

InChI

InChI=1S/C14H16BrNO5/c1-5-20-14(19)7-6(2)21-13-8(7)11(17)12(18)9(15)10(13)16(3)4/h17-18H,5H2,1-4H3