[(E)-[2-(trifluoromethyl)phenyl]methylideneamino] 4-chloranyl-1-methyl-pyrazole-3-carboxylate

Systemtic Name: [(E)-[2-(trifluoromethyl)phenyl]methylideneamino] 4-chloranyl-1-methyl-pyrazole-3-carboxylate Openeye Name: [(E)-[2-(trifluoromethyl)phenyl]methyleneamino] 4-chloro-1-methyl-pyrazole-3-carboxylate CAS Name: 4-chloro-1-methyl-3-pyrazolecarboxylic acid [(E)-[2-(trifluoromethyl)phenyl]methylideneamino] ester IUPAC Name: [(E)-[2-(trifluoromethyl)phenyl]methylideneamino] 4-chloro-1-methylpyrazole-3-carboxylate Traditional Name: 4-chloro-1-methyl-pyrazole-3-carboxylic acid [(E)-[2-(trifluoromethyl)benzylidene]amino] ester Formula: C13H9ClF3N3O2 MolecularWeight: 331.67767

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)C(=O)ON=CC2=CC=CC=C2C(F)(F)F)Cl

Isomeric SMILES

CN1C=C(C(=N1)C(=O)O/N=C/C2=CC=CC=C2C(F)(F)F)Cl

InChI

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