[2-[[4-chloranyl-2-(trifluoromethyl)phenyl]amino]-2-oxidanylidene-1-phenyl-ethyl] 3-bromanylbenzoate

Systemtic Name: [2-[[4-chloranyl-2-(trifluoromethyl)phenyl]amino]-2-oxidanylidene-1-phenyl-ethyl] 3-bromanylbenzoate Openeye Name: [2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxo-1-phenyl-ethyl] 3-bromobenzoate CAS Name: 3-bromobenzoic acid [2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxo-1-phenylethyl] ester IUPAC Name: [2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxo-1-phenylethyl] 3-bromobenzoate Traditional Name: 3-bromobenzoic acid [2-[4-chloro-2-(trifluoromethyl)anilino]-2-keto-1-phenyl-ethyl] ester Formula: C22H14BrClF3NO3 MolecularWeight: 512.70367

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C(=O)NC2=C(C=C(C=C2)Cl)C(F)(F)F)OC(=O)C3=CC(=CC=C3)Br

Isomeric SMILES

C1=CC=C(C=C1)C(C(=O)NC2=C(C=C(C=C2)Cl)C(F)(F)F)OC(=O)C3=CC(=CC=C3)Br

InChI

InChI=1S/C22H14BrClF3NO3/c23-15-8-4-7-14(11-15)21(30)31-19(13-5-2-1-3-6-13)20(29)28-18-10-9-16(24)12-17(18)22(25,26)27/h1-12,19H,(H,28,29)