5-(3-azanylpropanoylamino)-2-fluoranyl-benzoic acid

Systemtic Name: 5-(3-azanylpropanoylamino)-2-fluoranyl-benzoic acid Openeye Name: 5-(3-aminopropanoylamino)-2-fluoro-benzoic acid CAS Name: 5-[(3-amino-1-oxopropyl)amino]-2-fluorobenzoic acid IUPAC Name: 5-(3-aminopropanoylamino)-2-fluorobenzoic acid Traditional Name: 5-(3-aminopropanoylamino)-2-fluoro-benzoic acid Formula: C10H11FN2O3 MolecularWeight: 226.204343

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1NC(=O)CCN)C(=O)O)F

Isomeric SMILES

C1=CC(=C(C=C1NC(=O)CCN)C(=O)O)F

InChI

InChI=1S/C10H11FN2O3/c11-8-2-1-6(5-7(8)10(15)16)13-9(14)3-4-12/h1-2,5H,3-4,12H2,(H,13,14)(H,15,16)