4-acetamido-2-fluoranyl-5-(2-methylpropanoylamino)benzoic acid

Systemtic Name: 4-acetamido-2-fluoranyl-5-(2-methylpropanoylamino)benzoic acid Openeye Name: 4-acetamido-2-fluoro-5-(2-methylpropanoylamino)benzoic acid CAS Name: 4-acetamido-2-fluoro-5-[(2-methyl-1-oxopropyl)amino]benzoic acid IUPAC Name: 4-acetamido-2-fluoro-5-(2-methylpropanoylamino)benzoic acid Traditional Name: 4-acetamido-2-fluoro-5-(isobutyrylamino)benzoic acid Formula: C13H15FN2O4 MolecularWeight: 282.267603

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15FN2O4/c1-6(2)12(18)16-10-4-8(13(19)20)9(14)5-11(10)15-7(3)17/h4-6H,1-3H3,(H,15,17)(H,16,18)(H,19,20)