4-azanyl-2-[2-(4-bromanyl-2-fluoranyl-phenoxy)ethanoylamino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-azanyl-2-[2-(4-bromanyl-2-fluoranyl-phenoxy)ethanoylamino]-4-oxidanylidene-butanoic acid Openeye Name: 4-amino-2-[[2-(4-bromo-2-fluoro-phenoxy)acetyl]amino]-4-oxo-butanoic acid CAS Name: 4-amino-2-[[2-(4-bromo-2-fluorophenoxy)-1-oxoethyl]amino]-4-oxobutanoic acid IUPAC Name: 4-amino-2-[[2-(4-bromo-2-fluorophenoxy)acetyl]amino]-4-oxobutanoic acid Traditional Name: 4-amino-2-[[2-(4-bromo-2-fluoro-phenoxy)acetyl]amino]-4-keto-butyric acid Formula: C12H12BrFN2O5 MolecularWeight: 363.136483

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1Br)F)OCC(=O)NC(CC(=O)N)C(=O)O

Isomeric SMILES

C1=CC(=C(C=C1Br)F)OCC(=O)NC(CC(=O)N)C(=O)O

InChI

InChI=1S/C12H12BrFN2O5/c13-6-1-2-9(7(14)3-6)21-5-11(18)16-8(12(19)20)4-10(15)17/h1-3,8H,4-5H2,(H2,15,17)(H,16,18)(H,19,20)