ethyl 5-azanyl-1-[2,3,5,6-tetrakis(fluoranyl)-4-(trifluoromethyl)phenyl]pyrazole-4-carboxylate

Systemtic Name: ethyl 5-azanyl-1-[2,3,5,6-tetrakis(fluoranyl)-4-(trifluoromethyl)phenyl]pyrazole-4-carboxylate Openeye Name: ethyl 5-amino-1-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]pyrazole-4-carboxylate CAS Name: 5-amino-1-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-1-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]pyrazole-4-carboxylate Traditional Name: 5-amino-1-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]pyrazole-4-carboxylic acid ethyl ester Formula: C13H8F7N3O2 MolecularWeight: 371.210342

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C2=C(C(=C(C(=C2F)F)C(F)(F)F)F)F)N

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=C(C(=C(C(=C2F)F)C(F)(F)F)F)F)N

InChI

InChI=1S/C13H8F7N3O2/c1-2-25-12(24)4-3-22-23(11(4)21)10-8(16)6(14)5(13(18,19)20)7(15)9(10)17/h3H,2,21H2,1H3