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

Systemtic Name: 4-[(3-chloranyl-4-fluoranyl-phenyl)amino]-2,2-diethyl-4-oxidanylidene-butanoic acid Openeye Name: 4-(3-chloro-4-fluoro-anilino)-2,2-diethyl-4-oxo-butanoic acid CAS Name: 4-(3-chloro-4-fluoroanilino)-2,2-diethyl-4-oxobutanoic acid IUPAC Name: 4-(3-chloro-4-fluoroanilino)-2,2-diethyl-4-oxobutanoic acid Traditional Name: 4-(3-chloro-4-fluoro-anilino)-2,2-diethyl-4-keto-butyric acid Formula: C14H17ClFNO3 MolecularWeight: 301.741083

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(CC(=O)NC1=CC(=C(C=C1)F)Cl)C(=O)O

Isomeric SMILES

CCC(CC)(CC(=O)NC1=CC(=C(C=C1)F)Cl)C(=O)O

InChI

InChI=1S/C14H17ClFNO3/c1-3-14(4-2,13(19)20)8-12(18)17-9-5-6-11(16)10(15)7-9/h5-7H,3-4,8H2,1-2H3,(H,17,18)(H,19,20)