methyl 5-[[(5-bromanyl-2-fluoranyl-phenyl)amino]methyl]-2-methyl-furan-3-carboxylate

Systemtic Name: methyl 5-[[(5-bromanyl-2-fluoranyl-phenyl)amino]methyl]-2-methyl-furan-3-carboxylate Openeye Name: methyl 5-[(5-bromo-2-fluoro-anilino)methyl]-2-methyl-furan-3-carboxylate CAS Name: 5-[(5-bromo-2-fluoroanilino)methyl]-2-methyl-3-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[(5-bromo-2-fluoroanilino)methyl]-2-methylfuran-3-carboxylate Traditional Name: 5-[(5-bromo-2-fluoro-anilino)methyl]-2-methyl-furan-3-carboxylic acid methyl ester Formula: C14H13BrFNO3 MolecularWeight: 342.160323

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(O1)CNC2=C(C=CC(=C2)Br)F)C(=O)OC

Isomeric SMILES

CC1=C(C=C(O1)CNC2=C(C=CC(=C2)Br)F)C(=O)OC

InChI

InChI=1S/C14H13BrFNO3/c1-8-11(14(18)19-2)6-10(20-8)7-17-13-5-9(15)3-4-12(13)16/h3-6,17H,7H2,1-2H3