[2-[[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]amino]-2-oxidanylidene-ethyl] 4-phenoxybenzoate

Systemtic Name: [2-[[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]amino]-2-oxidanylidene-ethyl] 4-phenoxybenzoate Openeye Name: [2-[[3-chloro-5-(trifluoromethyl)-2-pyridyl]amino]-2-oxo-ethyl] 4-phenoxybenzoate CAS Name: 4-phenoxybenzoic acid [2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino]-2-oxoethyl] 4-phenoxybenzoate Traditional Name: 4-phenoxybenzoic acid [2-[[3-chloro-5-(trifluoromethyl)-2-pyridyl]amino]-2-keto-ethyl] ester Formula: C21H14ClF3N2O4 MolecularWeight: 450.79507

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC2=CC=C(C=C2)C(=O)OCC(=O)NC3=C(C=C(C=N3)C(F)(F)F)Cl

Isomeric SMILES

C1=CC=C(C=C1)OC2=CC=C(C=C2)C(=O)OCC(=O)NC3=C(C=C(C=N3)C(F)(F)F)Cl

InChI

InChI=1S/C21H14ClF3N2O4/c22-17-10-14(21(23,24)25)11-26-19(17)27-18(28)12-30-20(29)13-6-8-16(9-7-13)31-15-4-2-1-3-5-15/h1-11H,12H2,(H,26,27,28)