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

Systemtic Name: ethyl 3-oxidanylidene-2-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazole-5-carboxylate Openeye Name: ethyl 3-oxo-2-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazole-5-carboxylate CAS Name: 3-oxo-2-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazole-5-carboxylic acid ethyl ester IUPAC Name: ethyl 3-oxo-2-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazole-5-carboxylate Traditional Name: 3-keto-2-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazole-5-carboxylic acid ethyl ester Formula: C12H10F3N3O3 MolecularWeight: 301.22131

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H10F3N3O3/c1-2-21-10(19)9-16-11(20)18(17-9)8-5-3-4-7(6-8)12(13,14)15/h3-6H,2H2,1H3,(H,16,17,20)