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

Systemtic Name: ethyl 5-azanyl-1-[3-(trifluoromethyl)phenyl]-1,2,3-triazole-4-carboxylate Openeye Name: ethyl 5-amino-1-[3-(trifluoromethyl)phenyl]triazole-4-carboxylate CAS Name: 5-amino-1-[3-(trifluoromethyl)phenyl]-4-triazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-1-[3-(trifluoromethyl)phenyl]triazole-4-carboxylate Traditional Name: 5-amino-1-[3-(trifluoromethyl)phenyl]triazole-4-carboxylic acid ethyl ester Formula: C12H11F3N4O2 MolecularWeight: 300.23655

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H11F3N4O2/c1-2-21-11(20)9-10(16)19(18-17-9)8-5-3-4-7(6-8)12(13,14)15/h3-6H,2,16H2,1H3