5-[(3-acetamido-4-fluoranyl-phenyl)amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-[(3-acetamido-4-fluoranyl-phenyl)amino]-5-oxidanylidene-pentanoic acid Openeye Name: 5-(3-acetamido-4-fluoro-anilino)-5-oxo-pentanoic acid CAS Name: 5-(3-acetamido-4-fluoroanilino)-5-oxopentanoic acid IUPAC Name: 5-(3-acetamido-4-fluoroanilino)-5-oxopentanoic acid Traditional Name: 5-(3-acetamido-4-fluoro-anilino)-5-keto-valeric acid Formula: C13H15FN2O4 MolecularWeight: 282.267603

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=CC(=C1)NC(=O)CCCC(=O)O)F

Isomeric SMILES

CC(=O)NC1=C(C=CC(=C1)NC(=O)CCCC(=O)O)F

InChI

InChI=1S/C13H15FN2O4/c1-8(17)15-11-7-9(5-6-10(11)14)16-12(18)3-2-4-13(19)20/h5-7H,2-4H2,1H3,(H,15,17)(H,16,18)(H,19,20)