(2-nitrophenyl)methyl 4-methoxy-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxylate

Systemtic Name: (2-nitrophenyl)methyl 4-methoxy-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxylate Openeye Name: (2-nitrophenyl)methyl 4-methoxy-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxylate CAS Name: 4-methoxy-1-[3-(trifluoromethyl)phenyl]-3-pyrazolecarboxylic acid (2-nitrophenyl)methyl ester IUPAC Name: (2-nitrophenyl)methyl 4-methoxy-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxylate Traditional Name: 4-methoxy-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxylic acid (2-nitrobenzyl) ester Formula: C19H14F3N3O5 MolecularWeight: 421.32677

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CN(N=C1C(=O)OCC2=CC=CC=C2[N+](=O)[O-])C3=CC=CC(=C3)C(F)(F)F

Isomeric SMILES

COC1=CN(N=C1C(=O)OCC2=CC=CC=C2[N+](=O)[O-])C3=CC=CC(=C3)C(F)(F)F

InChI

InChI=1S/C19H14F3N3O5/c1-29-16-10-24(14-7-4-6-13(9-14)19(20,21)22)23-17(16)18(26)30-11-12-5-2-3-8-15(12)25(27)28/h2-10H,11H2,1H3