ethyl 1-(4-nitrophenyl)-5-(trifluoromethyl)pyrazole-4-carboxylate

Systemtic Name: ethyl 1-(4-nitrophenyl)-5-(trifluoromethyl)pyrazole-4-carboxylate Openeye Name: ethyl 1-(4-nitrophenyl)-5-(trifluoromethyl)pyrazole-4-carboxylate CAS Name: 1-(4-nitrophenyl)-5-(trifluoromethyl)-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(4-nitrophenyl)-5-(trifluoromethyl)pyrazole-4-carboxylate Traditional Name: 1-(4-nitrophenyl)-5-(trifluoromethyl)pyrazole-4-carboxylic acid ethyl ester Formula: C13H10F3N3O4 MolecularWeight: 329.23141

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C2=CC=C(C=C2)[N+](=O)[O-])C(F)(F)F

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=CC=C(C=C2)[N+](=O)[O-])C(F)(F)F

InChI

InChI=1S/C13H10F3N3O4/c1-2-23-12(20)10-7-17-18(11(10)13(14,15)16)8-3-5-9(6-4-8)19(21)22/h3-7H,2H2,1H3