ethyl 2-[4-chloranyl-2-(trifluoromethyl)phenyl]-3-oxidanylidene-1H-1,2,4-triazole-5-carboxylate

Systemtic Name: ethyl 2-[4-chloranyl-2-(trifluoromethyl)phenyl]-3-oxidanylidene-1H-1,2,4-triazole-5-carboxylate Openeye Name: ethyl 2-[4-chloro-2-(trifluoromethyl)phenyl]-3-oxo-1H-1,2,4-triazole-5-carboxylate CAS Name: 2-[4-chloro-2-(trifluoromethyl)phenyl]-3-oxo-1H-1,2,4-triazole-5-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[4-chloro-2-(trifluoromethyl)phenyl]-3-oxo-1H-1,2,4-triazole-5-carboxylate Traditional Name: 2-[4-chloro-2-(trifluoromethyl)phenyl]-3-keto-1H-1,2,4-triazole-5-carboxylic acid ethyl ester Formula: C12H9ClF3N3O3 MolecularWeight: 335.66637

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NC(=O)N(N1)C2=C(C=C(C=C2)Cl)C(F)(F)F

Isomeric SMILES

CCOC(=O)C1=NC(=O)N(N1)C2=C(C=C(C=C2)Cl)C(F)(F)F

InChI

InChI=1S/C12H9ClF3N3O3/c1-2-22-10(20)9-17-11(21)19(18-9)8-4-3-6(13)5-7(8)12(14,15)16/h3-5H,2H2,1H3,(H,17,18,21)