[(E)-(4-chlorophenyl)methylideneamino] 1-methyl-3-(trifluoromethyl)pyrazole-4-carboxylate

Systemtic Name: [(E)-(4-chlorophenyl)methylideneamino] 1-methyl-3-(trifluoromethyl)pyrazole-4-carboxylate Openeye Name: [(E)-(4-chlorophenyl)methyleneamino] 1-methyl-3-(trifluoromethyl)pyrazole-4-carboxylate CAS Name: 1-methyl-3-(trifluoromethyl)-4-pyrazolecarboxylic acid [(E)-(4-chlorophenyl)methylideneamino] ester IUPAC Name: [(E)-(4-chlorophenyl)methylideneamino] 1-methyl-3-(trifluoromethyl)pyrazole-4-carboxylate Traditional Name: 1-methyl-3-(trifluoromethyl)pyrazole-4-carboxylic acid [(E)-(4-chlorobenzylidene)amino] ester Formula: C13H9ClF3N3O2 MolecularWeight: 331.67767

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)C(F)(F)F)C(=O)ON=CC2=CC=C(C=C2)Cl

Isomeric SMILES

CN1C=C(C(=N1)C(F)(F)F)C(=O)O/N=C/C2=CC=C(C=C2)Cl

InChI

InChI=1S/C13H9ClF3N3O2/c1-20-7-10(11(19-20)13(15,16)17)12(21)22-18-6-8-2-4-9(14)5-3-8/h2-7H,1H3/b18-6+