[2-methoxy-4-[(E)-3-methoxy-3-oxidanylidene-prop-1-enyl]phenyl] 1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxylate

Systemtic Name: [2-methoxy-4-[(E)-3-methoxy-3-oxidanylidene-prop-1-enyl]phenyl] 1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxylate Openeye Name: [2-methoxy-4-[(E)-3-methoxy-3-oxo-prop-1-enyl]phenyl] 1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxylate CAS Name: 1-phenyl-5-(trifluoromethyl)-4-pyrazolecarboxylic acid [2-methoxy-4-[(E)-3-methoxy-3-oxoprop-1-enyl]phenyl] ester IUPAC Name: [2-methoxy-4-[(E)-3-methoxy-3-oxoprop-1-enyl]phenyl] 1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxylate Traditional Name: 1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxylic acid [4-[(E)-3-keto-3-methoxy-prop-1-enyl]-2-methoxy-phenyl] ester Formula: C22H17F3N2O5 MolecularWeight: 446.37599

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=CC(=O)OC)OC(=O)C2=C(N(N=C2)C3=CC=CC=C3)C(F)(F)F

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C/C(=O)OC)OC(=O)C2=C(N(N=C2)C3=CC=CC=C3)C(F)(F)F

InChI

InChI=1S/C22H17F3N2O5/c1-30-18-12-14(9-11-19(28)31-2)8-10-17(18)32-21(29)16-13-26-27(20(16)22(23,24)25)15-6-4-3-5-7-15/h3-13H,1-2H3/b11-9+