3-[[2-[(4-bromanyl-2-fluoranyl-phenyl)amino]-2-oxidanylidene-ethyl]amino]propanoic acid

Systemtic Name: 3-[[2-[(4-bromanyl-2-fluoranyl-phenyl)amino]-2-oxidanylidene-ethyl]amino]propanoic acid Openeye Name: 3-[[2-(4-bromo-2-fluoro-anilino)-2-oxo-ethyl]amino]propanoic acid CAS Name: 3-[[2-(4-bromo-2-fluoroanilino)-2-oxoethyl]amino]propanoic acid IUPAC Name: 3-[[2-(4-bromo-2-fluoroanilino)-2-oxoethyl]amino]propanoic acid Traditional Name: 3-[[2-(4-bromo-2-fluoro-anilino)-2-keto-ethyl]amino]propionic acid Formula: C11H12BrFN2O3 MolecularWeight: 319.126983

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1Br)F)NC(=O)CNCCC(=O)O

Isomeric SMILES

C1=CC(=C(C=C1Br)F)NC(=O)CNCCC(=O)O

InChI

InChI=1S/C11H12BrFN2O3/c12-7-1-2-9(8(13)5-7)15-10(16)6-14-4-3-11(17)18/h1-2,5,14H,3-4,6H2,(H,15,16)(H,17,18)