propan-2-yl 3-oxidanylidene-2-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazole-5-carboxylate

Systemtic Name: propan-2-yl 3-oxidanylidene-2-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazole-5-carboxylate Openeye Name: isopropyl 3-oxo-2-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazole-5-carboxylate CAS Name: 3-oxo-2-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazole-5-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 3-oxo-2-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazole-5-carboxylate Traditional Name: 3-keto-2-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazole-5-carboxylic acid isopropyl ester Formula: C13H12F3N3O3 MolecularWeight: 315.24789

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C1=NC(=O)N(N1)C2=CC=CC(=C2)C(F)(F)F

Isomeric SMILES

CC(C)OC(=O)C1=NC(=O)N(N1)C2=CC=CC(=C2)C(F)(F)F

InChI

InChI=1S/C13H12F3N3O3/c1-7(2)22-11(20)10-17-12(21)19(18-10)9-5-3-4-8(6-9)13(14,15)16/h3-7H,1-2H3,(H,17,18,21)