2-[(3-ethoxy-4-methyl-5-oxidanylidene-1,2,4-triazol-1-yl)methyl]-4-(trifluoromethyl)benzoic acid

Systemtic Name: 2-[(3-ethoxy-4-methyl-5-oxidanylidene-1,2,4-triazol-1-yl)methyl]-4-(trifluoromethyl)benzoic acid Openeye Name: 2-[(3-ethoxy-4-methyl-5-oxo-1,2,4-triazol-1-yl)methyl]-4-(trifluoromethyl)benzoic acid CAS Name: 2-[(3-ethoxy-4-methyl-5-oxo-1,2,4-triazol-1-yl)methyl]-4-(trifluoromethyl)benzoic acid IUPAC Name: 2-[(3-ethoxy-4-methyl-5-oxo-1,2,4-triazol-1-yl)methyl]-4-(trifluoromethyl)benzoic acid Traditional Name: 2-[(3-ethoxy-5-keto-4-methyl-1,2,4-triazol-1-yl)methyl]-4-(trifluoromethyl)benzoic acid Formula: C14H14F3N3O4 MolecularWeight: 345.27387

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=NN(C(=O)N1C)CC2=C(C=CC(=C2)C(F)(F)F)C(=O)O

Isomeric SMILES

CCOC1=NN(C(=O)N1C)CC2=C(C=CC(=C2)C(F)(F)F)C(=O)O

InChI

InChI=1S/C14H14F3N3O4/c1-3-24-12-18-20(13(23)19(12)2)7-8-6-9(14(15,16)17)4-5-10(8)11(21)22/h4-6H,3,7H2,1-2H3,(H,21,22)