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

Systemtic Name: (2-azanyl-2-oxidanylidene-ethyl) 5-phenyl-1-[3-(trifluoromethyl)phenyl]-1,2,4-triazole-3-carboxylate Openeye Name: (2-amino-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-amino-2-oxoethyl) ester IUPAC Name: (2-amino-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-amino-2-keto-ethyl) ester Formula: C18H13F3N4O3 MolecularWeight: 390.31603

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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)N

Isomeric SMILES

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

InChI

InChI=1S/C18H13F3N4O3/c19-18(20,21)12-7-4-8-13(9-12)25-16(11-5-2-1-3-6-11)23-15(24-25)17(27)28-10-14(22)26/h1-9H,10H2,(H2,22,26)