ethyl 1-(3-chloranyl-5-nitro-pyridin-2-yl)-5-(trifluoromethyl)pyrazole-4-carboxylate

Systemtic Name: ethyl 1-(3-chloranyl-5-nitro-pyridin-2-yl)-5-(trifluoromethyl)pyrazole-4-carboxylate Openeye Name: ethyl 1-(3-chloro-5-nitro-2-pyridyl)-5-(trifluoromethyl)pyrazole-4-carboxylate CAS Name: 1-(3-chloro-5-nitro-2-pyridinyl)-5-(trifluoromethyl)-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(3-chloro-5-nitropyridin-2-yl)-5-(trifluoromethyl)pyrazole-4-carboxylate Traditional Name: 1-(3-chloro-5-nitro-2-pyridyl)-5-(trifluoromethyl)pyrazole-4-carboxylic acid ethyl ester Formula: C12H8ClF3N4O4 MolecularWeight: 364.66453

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C2=C(C=C(C=N2)[N+](=O)[O-])Cl)C(F)(F)F

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=C(C=C(C=N2)[N+](=O)[O-])Cl)C(F)(F)F

InChI

InChI=1S/C12H8ClF3N4O4/c1-2-24-11(21)7-5-18-19(9(7)12(14,15)16)10-8(13)3-6(4-17-10)20(22)23/h3-5H,2H2,1H3