2-[(3-chloranyl-4-fluoranyl-phenyl)-(3-methylbutanoyl)amino]ethanoate

Systemtic Name: 2-[(3-chloranyl-4-fluoranyl-phenyl)-(3-methylbutanoyl)amino]ethanoate Openeye Name: 2-[3-chloro-4-fluoro-N-(3-methylbutanoyl)anilino]acetate CAS Name: 2-(3-chloro-4-fluoro-N-(3-methyl-1-oxobutyl)anilino)acetate IUPAC Name: 2-[3-chloro-4-fluoro-N-(3-methylbutanoyl)anilino]acetate Traditional Name: 2-(3-chloro-4-fluoro-N-isovaleryl-anilino)acetate Formula: C13H14ClFNO3- MolecularWeight: 286.706563

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)N(CC(=O)[O-])C1=CC(=C(C=C1)F)Cl

Isomeric SMILES

CC(C)CC(=O)N(CC(=O)[O-])C1=CC(=C(C=C1)F)Cl

InChI

InChI=1S/C13H15ClFNO3/c1-8(2)5-12(17)16(7-13(18)19)9-3-4-11(15)10(14)6-9/h3-4,6,8H,5,7H2,1-2H3,(H,18,19)/p-1