[(E)-[azanyl-(4-chlorophenyl)methylidene]amino] 1-methyl-5-(trifluoromethyl)pyrazole-4-carboxylate

Systemtic Name: [(E)-[azanyl-(4-chlorophenyl)methylidene]amino] 1-methyl-5-(trifluoromethyl)pyrazole-4-carboxylate Openeye Name: [(E)-[amino-(4-chlorophenyl)methylene]amino] 1-methyl-5-(trifluoromethyl)pyrazole-4-carboxylate CAS Name: 1-methyl-5-(trifluoromethyl)-4-pyrazolecarboxylic acid [(E)-[amino-(4-chlorophenyl)methylidene]amino] ester IUPAC Name: [(E)-[amino-(4-chlorophenyl)methylidene]amino] 1-methyl-5-(trifluoromethyl)pyrazole-4-carboxylate Traditional Name: 1-methyl-5-(trifluoromethyl)pyrazole-4-carboxylic acid [(E)-[amino-(4-chlorophenyl)methylene]amino] ester Formula: C13H10ClF3N4O2 MolecularWeight: 346.69231

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H10ClF3N4O2/c1-21-10(13(15,16)17)9(6-19-21)12(22)23-20-11(18)7-2-4-8(14)5-3-7/h2-6H,1H3,(H2,18,20)