(2-nitrophenyl)methyl 5-methyl-1-[5-(trifluoromethyl)pyridin-2-yl]pyrazole-4-carboxylate

Systemtic Name: (2-nitrophenyl)methyl 5-methyl-1-[5-(trifluoromethyl)pyridin-2-yl]pyrazole-4-carboxylate Openeye Name: (2-nitrophenyl)methyl 5-methyl-1-[5-(trifluoromethyl)-2-pyridyl]pyrazole-4-carboxylate CAS Name: 5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]-4-pyrazolecarboxylic acid (2-nitrophenyl)methyl ester IUPAC Name: (2-nitrophenyl)methyl 5-methyl-1-[5-(trifluoromethyl)pyridin-2-yl]pyrazole-4-carboxylate Traditional Name: 5-methyl-1-[5-(trifluoromethyl)-2-pyridyl]pyrazole-4-carboxylic acid (2-nitrobenzyl) ester Formula: C18H13F3N4O4 MolecularWeight: 406.31543

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C2=NC=C(C=C2)C(F)(F)F)C(=O)OCC3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=NN1C2=NC=C(C=C2)C(F)(F)F)C(=O)OCC3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C18H13F3N4O4/c1-11-14(17(26)29-10-12-4-2-3-5-15(12)25(27)28)9-23-24(11)16-7-6-13(8-22-16)18(19,20)21/h2-9H,10H2,1H3