methyl 2-fluoranyl-5-[(1-phenyl-1,2,3-triazol-4-yl)carbonylamino]benzoate

Systemtic Name: methyl 2-fluoranyl-5-[(1-phenyl-1,2,3-triazol-4-yl)carbonylamino]benzoate Openeye Name: methyl 2-fluoro-5-[(1-phenyltriazole-4-carbonyl)amino]benzoate CAS Name: 2-fluoro-5-[[oxo-(1-phenyl-4-triazolyl)methyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-fluoro-5-[(1-phenyltriazole-4-carbonyl)amino]benzoate Traditional Name: 2-fluoro-5-[(1-phenyltriazole-4-carbonyl)amino]benzoic acid methyl ester Formula: C17H13FN4O3 MolecularWeight: 340.308523

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CC(=C1)NC(=O)C2=CN(N=N2)C3=CC=CC=C3)F

Isomeric SMILES

COC(=O)C1=C(C=CC(=C1)NC(=O)C2=CN(N=N2)C3=CC=CC=C3)F

InChI

InChI=1S/C17H13FN4O3/c1-25-17(24)13-9-11(7-8-14(13)18)19-16(23)15-10-22(21-20-15)12-5-3-2-4-6-12/h2-10H,1H3,(H,19,23)