ethyl 2-[(3-bromanyl-4-methyl-5-oxidanylidene-1,2,4-triazol-1-yl)methyl]-4-(trifluoromethyl)benzoate

Systemtic Name: ethyl 2-[(3-bromanyl-4-methyl-5-oxidanylidene-1,2,4-triazol-1-yl)methyl]-4-(trifluoromethyl)benzoate Openeye Name: ethyl 2-[(3-bromo-4-methyl-5-oxo-1,2,4-triazol-1-yl)methyl]-4-(trifluoromethyl)benzoate CAS Name: 2-[(3-bromo-4-methyl-5-oxo-1,2,4-triazol-1-yl)methyl]-4-(trifluoromethyl)benzoic acid ethyl ester IUPAC Name: ethyl 2-[(3-bromo-4-methyl-5-oxo-1,2,4-triazol-1-yl)methyl]-4-(trifluoromethyl)benzoate Traditional Name: 2-[(3-bromo-5-keto-4-methyl-1,2,4-triazol-1-yl)methyl]-4-(trifluoromethyl)benzoic acid ethyl ester Formula: C14H13BrF3N3O3 MolecularWeight: 408.17053

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=C(C=C1)C(F)(F)F)CN2C(=O)N(C(=N2)Br)C

Isomeric SMILES

CCOC(=O)C1=C(C=C(C=C1)C(F)(F)F)CN2C(=O)N(C(=N2)Br)C

InChI

InChI=1S/C14H13BrF3N3O3/c1-3-24-11(22)10-5-4-9(14(16,17)18)6-8(10)7-21-13(23)20(2)12(15)19-21/h4-6H,3,7H2,1-2H3