3-[(3-ethyl-4-methoxy-5-oxidanylidene-1,2,4-triazol-1-yl)methyl]-5-fluoranyl-benzoic acid

Systemtic Name: 3-[(3-ethyl-4-methoxy-5-oxidanylidene-1,2,4-triazol-1-yl)methyl]-5-fluoranyl-benzoic acid Openeye Name: 3-[(3-ethyl-4-methoxy-5-oxo-1,2,4-triazol-1-yl)methyl]-5-fluoro-benzoic acid CAS Name: 3-[(3-ethyl-4-methoxy-5-oxo-1,2,4-triazol-1-yl)methyl]-5-fluorobenzoic acid IUPAC Name: 3-[(3-ethyl-4-methoxy-5-oxo-1,2,4-triazol-1-yl)methyl]-5-fluorobenzoic acid Traditional Name: 3-[(3-ethyl-5-keto-4-methoxy-1,2,4-triazol-1-yl)methyl]-5-fluoro-benzoic acid Formula: C13H14FN3O4 MolecularWeight: 295.266363

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN(C(=O)N1OC)CC2=CC(=CC(=C2)C(=O)O)F

Isomeric SMILES

CCC1=NN(C(=O)N1OC)CC2=CC(=CC(=C2)C(=O)O)F

InChI

InChI=1S/C13H14FN3O4/c1-3-11-15-16(13(20)17(11)21-2)7-8-4-9(12(18)19)6-10(14)5-8/h4-6H,3,7H2,1-2H3,(H,18,19)