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

Systemtic Name: ethyl 1-[2-nitro-4-(trifluoromethyl)phenyl]-5-propyl-1,2,3-triazole-4-carboxylate Openeye Name: ethyl 1-[2-nitro-4-(trifluoromethyl)phenyl]-5-propyl-triazole-4-carboxylate CAS Name: 1-[2-nitro-4-(trifluoromethyl)phenyl]-5-propyl-4-triazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-nitro-4-(trifluoromethyl)phenyl]-5-propyltriazole-4-carboxylate Traditional Name: 1-[2-nitro-4-(trifluoromethyl)phenyl]-5-propyl-triazole-4-carboxylic acid ethyl ester Formula: C15H15F3N4O4 MolecularWeight: 372.29921

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(N=NN1C2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-])C(=O)OCC

Isomeric SMILES

CCCC1=C(N=NN1C2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-])C(=O)OCC

InChI

InChI=1S/C15H15F3N4O4/c1-3-5-11-13(14(23)26-4-2)19-20-21(11)10-7-6-9(15(16,17)18)8-12(10)22(24)25/h6-8H,3-5H2,1-2H3