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

Systemtic Name: [2-[[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]amino]-2-oxidanylidene-ethyl] 4-tert-butylbenzoate Openeye Name: [2-[[3-chloro-5-(trifluoromethyl)-2-pyridyl]amino]-2-oxo-ethyl] 4-tert-butylbenzoate CAS Name: 4-tert-butylbenzoic 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-tert-butylbenzoate Traditional Name: 4-tert-butylbenzoic acid [2-[[3-chloro-5-(trifluoromethyl)-2-pyridyl]amino]-2-keto-ethyl] ester Formula: C19H18ClF3N2O3 MolecularWeight: 414.80603

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)OCC(=O)NC2=C(C=C(C=N2)C(F)(F)F)Cl

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)OCC(=O)NC2=C(C=C(C=N2)C(F)(F)F)Cl

InChI

InChI=1S/C19H18ClF3N2O3/c1-18(2,3)12-6-4-11(5-7-12)17(27)28-10-15(26)25-16-14(20)8-13(9-24-16)19(21,22)23/h4-9H,10H2,1-3H3,(H,24,25,26)