dimethyl 5-[2-(2-bromanyl-4-fluoranyl-phenoxy)ethanoylamino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[2-(2-bromanyl-4-fluoranyl-phenoxy)ethanoylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[[2-(2-bromo-4-fluoro-phenoxy)acetyl]amino]benzene-1,3-dicarboxylate CAS Name: 5-[[2-(2-bromo-4-fluorophenoxy)-1-oxoethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[2-(2-bromo-4-fluorophenoxy)acetyl]amino]benzene-1,3-dicarboxylate Traditional Name: 5-[[2-(2-bromo-4-fluoro-phenoxy)acetyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C18H15BrFNO6 MolecularWeight: 440.217203

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NC(=O)COC2=C(C=C(C=C2)F)Br)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NC(=O)COC2=C(C=C(C=C2)F)Br)C(=O)OC

InChI

InChI=1S/C18H15BrFNO6/c1-25-17(23)10-5-11(18(24)26-2)7-13(6-10)21-16(22)9-27-15-4-3-12(20)8-14(15)19/h3-8H,9H2,1-2H3,(H,21,22)