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

Systemtic Name: ethyl 1-[3,5-bis(trifluoromethyl)phenyl]-5-oxidanylidene-2H-1,2,3-triazole-4-carboxylate Openeye Name: ethyl 1-[3,5-bis(trifluoromethyl)phenyl]-5-oxo-2H-triazole-4-carboxylate CAS Name: 1-[3,5-bis(trifluoromethyl)phenyl]-5-oxo-2H-triazole-4-carboxylic acid ethyl ester IUPAC Name: ethyl 1-[3,5-bis(trifluoromethyl)phenyl]-5-oxo-2H-triazole-4-carboxylate Traditional Name: 1-[3,5-bis(trifluoromethyl)phenyl]-5-keto-2H-triazole-4-carboxylic acid ethyl ester Formula: C13H9F6N3O3 MolecularWeight: 369.219279

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NNN(C1=O)C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F

Isomeric SMILES

CCOC(=O)C1=NNN(C1=O)C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C13H9F6N3O3/c1-2-25-11(24)9-10(23)22(21-20-9)8-4-6(12(14,15)16)3-7(5-8)13(17,18)19/h3-5,21H,2H2,1H3