N-(4-ethyl-3-nitro-phenyl)-1-[2-(trifluoromethyl)phenyl]-1,2,3-triazole-4-carboxamide

Systemtic Name: N-(4-ethyl-3-nitro-phenyl)-1-[2-(trifluoromethyl)phenyl]-1,2,3-triazole-4-carboxamide Openeye Name: N-(4-ethyl-3-nitro-phenyl)-1-[2-(trifluoromethyl)phenyl]triazole-4-carboxamide CAS Name: N-(4-ethyl-3-nitrophenyl)-1-[2-(trifluoromethyl)phenyl]-4-triazolecarboxamide IUPAC Name: N-(4-ethyl-3-nitrophenyl)-1-[2-(trifluoromethyl)phenyl]triazole-4-carboxamide Traditional Name: N-(4-ethyl-3-nitro-phenyl)-1-[2-(trifluoromethyl)phenyl]triazole-4-carboxamide Formula: C18H14F3N5O3 MolecularWeight: 405.33067

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C=C1)NC(=O)C2=CN(N=N2)C3=CC=CC=C3C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CCC1=C(C=C(C=C1)NC(=O)C2=CN(N=N2)C3=CC=CC=C3C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C18H14F3N5O3/c1-2-11-7-8-12(9-16(11)26(28)29)22-17(27)14-10-25(24-23-14)15-6-4-3-5-13(15)18(19,20)21/h3-10H,2H2,1H3,(H,22,27)