methyl 3-[5-(2-azanyl-2-oxidanylidene-ethoxy)-4-bromanyl-2-fluoranyl-phenyl]-3-oxidanylidene-propanoate

Systemtic Name: methyl 3-[5-(2-azanyl-2-oxidanylidene-ethoxy)-4-bromanyl-2-fluoranyl-phenyl]-3-oxidanylidene-propanoate Openeye Name: methyl 3-[5-(2-amino-2-oxo-ethoxy)-4-bromo-2-fluoro-phenyl]-3-oxo-propanoate CAS Name: 3-[5-(2-amino-2-oxoethoxy)-4-bromo-2-fluorophenyl]-3-oxopropanoic acid methyl ester IUPAC Name: methyl 3-[5-(2-amino-2-oxoethoxy)-4-bromo-2-fluorophenyl]-3-oxopropanoate Traditional Name: 3-[5-(2-amino-2-keto-ethoxy)-4-bromo-2-fluoro-phenyl]-3-keto-propionic acid methyl ester Formula: C12H11BrFNO5 MolecularWeight: 348.121843

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(=O)C1=CC(=C(C=C1F)Br)OCC(=O)N

Isomeric SMILES

COC(=O)CC(=O)C1=CC(=C(C=C1F)Br)OCC(=O)N

InChI

InChI=1S/C12H11BrFNO5/c1-19-12(18)4-9(16)6-2-10(20-5-11(15)17)7(13)3-8(6)14/h2-3H,4-5H2,1H3,(H2,15,17)