methyl 3-(2-azanylpropanoylamino)-4-fluoranyl-benzoate

Systemtic Name: methyl 3-(2-azanylpropanoylamino)-4-fluoranyl-benzoate Openeye Name: methyl 3-(2-aminopropanoylamino)-4-fluoro-benzoate CAS Name: 3-[(2-amino-1-oxopropyl)amino]-4-fluorobenzoic acid methyl ester IUPAC Name: methyl 3-(2-aminopropanoylamino)-4-fluorobenzoate Traditional Name: 3-(alanylamino)-4-fluoro-benzoic acid methyl ester Formula: C11H13FN2O3 MolecularWeight: 240.230923

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=CC(=C1)C(=O)OC)F)N

Isomeric SMILES

CC(C(=O)NC1=C(C=CC(=C1)C(=O)OC)F)N

InChI

InChI=1S/C11H13FN2O3/c1-6(13)10(15)14-9-5-7(11(16)17-2)3-4-8(9)12/h3-6H,13H2,1-2H3,(H,14,15)