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

Systemtic Name: (2-benzamido-2-oxidanylidene-ethyl) 5-phenyl-1-[3-(trifluoromethyl)phenyl]-1,2,4-triazole-3-carboxylate Openeye Name: (2-benzamido-2-oxo-ethyl) 5-phenyl-1-[3-(trifluoromethyl)phenyl]-1,2,4-triazole-3-carboxylate CAS Name: 5-phenyl-1-[3-(trifluoromethyl)phenyl]-1,2,4-triazole-3-carboxylic acid (2-benzamido-2-oxoethyl) ester IUPAC Name: (2-benzamido-2-oxoethyl) 5-phenyl-1-[3-(trifluoromethyl)phenyl]-1,2,4-triazole-3-carboxylate Traditional Name: 5-phenyl-1-[3-(trifluoromethyl)phenyl]-1,2,4-triazole-3-carboxylic acid (2-benzamido-2-keto-ethyl) ester Formula: C25H17F3N4O4 MolecularWeight: 494.42209

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC(=NN2C3=CC=CC(=C3)C(F)(F)F)C(=O)OCC(=O)NC(=O)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C2=NC(=NN2C3=CC=CC(=C3)C(F)(F)F)C(=O)OCC(=O)NC(=O)C4=CC=CC=C4

InChI

InChI=1S/C25H17F3N4O4/c26-25(27,28)18-12-7-13-19(14-18)32-22(16-8-3-1-4-9-16)30-21(31-32)24(35)36-15-20(33)29-23(34)17-10-5-2-6-11-17/h1-14H,15H2,(H,29,33,34)