methyl 4-[[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]carbamoyl]benzoate

Systemtic Name: methyl 4-[[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]carbamoyl]benzoate Openeye Name: methyl 4-[[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]carbamoyl]benzoate CAS Name: 4-[oxo-[[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]carbamoyl]benzoate Traditional Name: 4-[[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]carbamoyl]benzoic acid methyl ester Formula: C12H9F3N4O3 MolecularWeight: 314.22007

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C(=O)NC2=NNC(=N2)C(F)(F)F

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C(=O)NC2=NNC(=N2)C(F)(F)F

InChI

InChI=1S/C12H9F3N4O3/c1-22-9(21)7-4-2-6(3-5-7)8(20)16-11-17-10(18-19-11)12(13,14)15/h2-5H,1H3,(H2,16,17,18,19,20)