4-[(2-chloranyl-6-fluoranyl-phenyl)methyl-ethyl-amino]-4-oxidanylidene-butanoate

Systemtic Name: 4-[(2-chloranyl-6-fluoranyl-phenyl)methyl-ethyl-amino]-4-oxidanylidene-butanoate Openeye Name: 4-[(2-chloro-6-fluoro-phenyl)methyl-ethyl-amino]-4-oxo-butanoate CAS Name: 4-[(2-chloro-6-fluorophenyl)methyl-ethylamino]-4-oxobutanoate IUPAC Name: 4-[(2-chloro-6-fluorophenyl)methyl-ethylamino]-4-oxobutanoate Traditional Name: 4-[(2-chloro-6-fluoro-benzyl)-ethyl-amino]-4-keto-butyrate Formula: C13H14ClFNO3- MolecularWeight: 286.706563

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=C(C=CC=C1Cl)F)C(=O)CCC(=O)[O-]

Isomeric SMILES

CCN(CC1=C(C=CC=C1Cl)F)C(=O)CCC(=O)[O-]

InChI

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