5-[(3-chloranyl-4-fluoranyl-phenyl)amino]-3-ethyl-3-methyl-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-[(3-chloranyl-4-fluoranyl-phenyl)amino]-3-ethyl-3-methyl-5-oxidanylidene-pentanoic acid Openeye Name: 5-(3-chloro-4-fluoro-anilino)-3-ethyl-3-methyl-5-oxo-pentanoic acid CAS Name: 5-(3-chloro-4-fluoroanilino)-3-ethyl-3-methyl-5-oxopentanoic acid IUPAC Name: 5-(3-chloro-4-fluoroanilino)-3-ethyl-3-methyl-5-oxopentanoic acid Traditional Name: 5-(3-chloro-4-fluoro-anilino)-3-ethyl-5-keto-3-methyl-valeric acid Formula: C14H17ClFNO3 MolecularWeight: 301.741083

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17ClFNO3/c1-3-14(2,8-13(19)20)7-12(18)17-9-4-5-11(16)10(15)6-9/h4-6H,3,7-8H2,1-2H3,(H,17,18)(H,19,20)