ethyl 1-ethyl-4-[2-[5-methyl-4-nitro-3-(trifluoromethyl)pyrazol-1-yl]ethanoylamino]pyrazole-3-carboxylate

Systemtic Name: ethyl 1-ethyl-4-[2-[5-methyl-4-nitro-3-(trifluoromethyl)pyrazol-1-yl]ethanoylamino]pyrazole-3-carboxylate Openeye Name: ethyl 1-ethyl-4-[[2-[5-methyl-4-nitro-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]pyrazole-3-carboxylate CAS Name: 1-ethyl-4-[[2-[5-methyl-4-nitro-3-(trifluoromethyl)-1-pyrazolyl]-1-oxoethyl]amino]-3-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-ethyl-4-[[2-[5-methyl-4-nitro-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]pyrazole-3-carboxylate Traditional Name: 1-ethyl-4-[[2-[5-methyl-4-nitro-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]pyrazole-3-carboxylic acid ethyl ester Formula: C15H17F3N6O5 MolecularWeight: 418.32789

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=N1)C(=O)OCC)NC(=O)CN2C(=C(C(=N2)C(F)(F)F)[N+](=O)[O-])C

Isomeric SMILES

CCN1C=C(C(=N1)C(=O)OCC)NC(=O)CN2C(=C(C(=N2)C(F)(F)F)[N+](=O)[O-])C

InChI

InChI=1S/C15H17F3N6O5/c1-4-22-6-9(11(20-22)14(26)29-5-2)19-10(25)7-23-8(3)12(24(27)28)13(21-23)15(16,17)18/h6H,4-5,7H2,1-3H3,(H,19,25)