[1-[[2-chloranyl-5-(trifluoromethyl)phenyl]amino]-1-oxidanylidene-propan-2-yl] 4-tert-butylbenzoate

Systemtic Name: [1-[[2-chloranyl-5-(trifluoromethyl)phenyl]amino]-1-oxidanylidene-propan-2-yl] 4-tert-butylbenzoate Openeye Name: [2-[2-chloro-5-(trifluoromethyl)anilino]-1-methyl-2-oxo-ethyl] 4-tert-butylbenzoate CAS Name: 4-tert-butylbenzoic acid [1-[2-chloro-5-(trifluoromethyl)anilino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[2-chloro-5-(trifluoromethyl)anilino]-1-oxopropan-2-yl] 4-tert-butylbenzoate Traditional Name: 4-tert-butylbenzoic acid [2-[2-chloro-5-(trifluoromethyl)anilino]-2-keto-1-methyl-ethyl] ester Formula: C21H21ClF3NO3 MolecularWeight: 427.84455

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=CC(=C1)C(F)(F)F)Cl)OC(=O)C2=CC=C(C=C2)C(C)(C)C

Isomeric SMILES

CC(C(=O)NC1=C(C=CC(=C1)C(F)(F)F)Cl)OC(=O)C2=CC=C(C=C2)C(C)(C)C

InChI

InChI=1S/C21H21ClF3NO3/c1-12(29-19(28)13-5-7-14(8-6-13)20(2,3)4)18(27)26-17-11-15(21(23,24)25)9-10-16(17)22/h5-12H,1-4H3,(H,26,27)