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

Systemtic Name: [2-[[4-chloranyl-3-(trifluoromethyl)phenyl]amino]-2-oxidanylidene-1-phenyl-ethyl] 4-oxidanylbenzoate Openeye Name: [2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxo-1-phenyl-ethyl] 4-hydroxybenzoate CAS Name: 4-hydroxybenzoic acid [2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxo-1-phenylethyl] ester IUPAC Name: [2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxo-1-phenylethyl] 4-hydroxybenzoate Traditional Name: 4-hydroxybenzoic acid [2-[4-chloro-3-(trifluoromethyl)anilino]-2-keto-1-phenyl-ethyl] ester Formula: C22H15ClF3NO4 MolecularWeight: 449.80701

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H15ClF3NO4/c23-18-11-8-15(12-17(18)22(24,25)26)27-20(29)19(13-4-2-1-3-5-13)31-21(30)14-6-9-16(28)10-7-14/h1-12,19,28H,(H,27,29)