4-[[2-[(3-chloranyl-4-fluoranyl-phenyl)amino]-2-oxidanylidene-ethyl]amino]butanoic acid

Systemtic Name: 4-[[2-[(3-chloranyl-4-fluoranyl-phenyl)amino]-2-oxidanylidene-ethyl]amino]butanoic acid Openeye Name: 4-[[2-(3-chloro-4-fluoro-anilino)-2-oxo-ethyl]amino]butanoic acid CAS Name: 4-[[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]amino]butanoic acid IUPAC Name: 4-[[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]amino]butanoic acid Traditional Name: 4-[[2-(3-chloro-4-fluoro-anilino)-2-keto-ethyl]amino]butyric acid Formula: C12H14ClFN2O3 MolecularWeight: 288.702563

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1NC(=O)CNCCCC(=O)O)Cl)F

Isomeric SMILES

C1=CC(=C(C=C1NC(=O)CNCCCC(=O)O)Cl)F

InChI

InChI=1S/C12H14ClFN2O3/c13-9-6-8(3-4-10(9)14)16-11(17)7-15-5-1-2-12(18)19/h3-4,6,15H,1-2,5,7H2,(H,16,17)(H,18,19)