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

Systemtic Name: 2-[(4-cyclopropyl-3-ethoxy-5-oxidanylidene-1,2,4-triazol-1-yl)methyl]-4-(trifluoromethyl)benzoic acid Openeye Name: 2-[(4-cyclopropyl-3-ethoxy-5-oxo-1,2,4-triazol-1-yl)methyl]-4-(trifluoromethyl)benzoic acid CAS Name: 2-[(4-cyclopropyl-3-ethoxy-5-oxo-1,2,4-triazol-1-yl)methyl]-4-(trifluoromethyl)benzoic acid IUPAC Name: 2-[(4-cyclopropyl-3-ethoxy-5-oxo-1,2,4-triazol-1-yl)methyl]-4-(trifluoromethyl)benzoic acid Traditional Name: 2-[(4-cyclopropyl-3-ethoxy-5-keto-1,2,4-triazol-1-yl)methyl]-4-(trifluoromethyl)benzoic acid Formula: C16H16F3N3O4 MolecularWeight: 371.31115

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=NN(C(=O)N1C2CC2)CC3=C(C=CC(=C3)C(F)(F)F)C(=O)O

Isomeric SMILES

CCOC1=NN(C(=O)N1C2CC2)CC3=C(C=CC(=C3)C(F)(F)F)C(=O)O

InChI

InChI=1S/C16H16F3N3O4/c1-2-26-14-20-21(15(25)22(14)11-4-5-11)8-9-7-10(16(17,18)19)3-6-12(9)13(23)24/h3,6-7,11H,2,4-5,8H2,1H3,(H,23,24)