4-fluoranyl-2-[3-(1,2,3-triazol-1-yl)propanoylamino]benzoate

Systemtic Name: 4-fluoranyl-2-[3-(1,2,3-triazol-1-yl)propanoylamino]benzoate Openeye Name: 4-fluoro-2-[3-(triazol-1-yl)propanoylamino]benzoate CAS Name: 4-fluoro-2-[[1-oxo-3-(1-triazolyl)propyl]amino]benzoate IUPAC Name: 4-fluoro-2-[3-(triazol-1-yl)propanoylamino]benzoate Traditional Name: 4-fluoro-2-[3-(triazol-1-yl)propanoylamino]benzoate Formula: C12H10FN4O3- MolecularWeight: 277.231203

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1F)NC(=O)CCN2C=CN=N2)C(=O)[O-]

Isomeric SMILES

C1=CC(=C(C=C1F)NC(=O)CCN2C=CN=N2)C(=O)[O-]

InChI

InChI=1S/C12H11FN4O3/c13-8-1-2-9(12(19)20)10(7-8)15-11(18)3-5-17-6-4-14-16-17/h1-2,4,6-7H,3,5H2,(H,15,18)(H,19,20)/p-1