[(E)-[5-chloranyl-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methylideneamino] benzoate

Systemtic Name: [(E)-[5-chloranyl-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methylideneamino] benzoate Openeye Name: [(E)-[5-chloro-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyleneamino] benzoate CAS Name: benzoic acid [(E)-[5-chloro-1-methyl-3-(trifluoromethyl)-4-pyrazolyl]methylideneamino] ester IUPAC Name: [(E)-[5-chloro-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methylideneamino] benzoate Traditional Name: benzoic acid [(E)-[5-chloro-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyleneamino] 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=NOC(=O)C2=CC=CC=C2)Cl

Isomeric SMILES

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

InChI

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