[(E)-(4-cyanophenyl)methylideneamino] 1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxylate

Systemtic Name: [(E)-(4-cyanophenyl)methylideneamino] 1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxylate Openeye Name: [(E)-(4-cyanophenyl)methyleneamino] 1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxylate CAS Name: 1-phenyl-5-(trifluoromethyl)-4-pyrazolecarboxylic acid [(E)-(4-cyanophenyl)methylideneamino] ester IUPAC Name: [(E)-(4-cyanophenyl)methylideneamino] 1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxylate Traditional Name: 1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxylic acid [(E)-(4-cyanobenzylidene)amino] ester Formula: C19H11F3N4O2 MolecularWeight: 384.31145

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=C(C=N2)C(=O)ON=CC3=CC=C(C=C3)C#N)C(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)N2C(=C(C=N2)C(=O)O/N=C/C3=CC=C(C=C3)C#N)C(F)(F)F

InChI

InChI=1S/C19H11F3N4O2/c20-19(21,22)17-16(12-24-26(17)15-4-2-1-3-5-15)18(27)28-25-11-14-8-6-13(10-23)7-9-14/h1-9,11-12H/b25-11+