[2-[[2-chloranyl-6-(trifluoromethyl)phenyl]amino]-2-oxidanylidene-ethyl] 4-pyrazol-1-ylbenzoate

Systemtic Name: [2-[[2-chloranyl-6-(trifluoromethyl)phenyl]amino]-2-oxidanylidene-ethyl] 4-pyrazol-1-ylbenzoate Openeye Name: [2-[2-chloro-6-(trifluoromethyl)anilino]-2-oxo-ethyl] 4-pyrazol-1-ylbenzoate CAS Name: 4-(1-pyrazolyl)benzoic acid [2-[2-chloro-6-(trifluoromethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[2-chloro-6-(trifluoromethyl)anilino]-2-oxoethyl] 4-pyrazol-1-ylbenzoate Traditional Name: 4-pyrazol-1-ylbenzoic acid [2-[2-chloro-6-(trifluoromethyl)anilino]-2-keto-ethyl] ester Formula: C19H13ClF3N3O3 MolecularWeight: 423.77303

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1)Cl)NC(=O)COC(=O)C2=CC=C(C=C2)N3C=CC=N3)C(F)(F)F

Isomeric SMILES

C1=CC(=C(C(=C1)Cl)NC(=O)COC(=O)C2=CC=C(C=C2)N3C=CC=N3)C(F)(F)F

InChI

InChI=1S/C19H13ClF3N3O3/c20-15-4-1-3-14(19(21,22)23)17(15)25-16(27)11-29-18(28)12-5-7-13(8-6-12)26-10-2-9-24-26/h1-10H,11H2,(H,25,27)