[2-[[4-chloranyl-2-(trifluoromethyl)phenyl]amino]-2-oxidanylidene-1-phenyl-ethyl] 9H-xanthene-9-carboxylate

Systemtic Name: [2-[[4-chloranyl-2-(trifluoromethyl)phenyl]amino]-2-oxidanylidene-1-phenyl-ethyl] 9H-xanthene-9-carboxylate Openeye Name: [2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxo-1-phenyl-ethyl] 9H-xanthene-9-carboxylate CAS Name: 9H-xanthene-9-carboxylic acid [2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxo-1-phenylethyl] ester IUPAC Name: [2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxo-1-phenylethyl] 9H-xanthene-9-carboxylate Traditional Name: 9H-xanthene-9-carboxylic acid [2-[4-chloro-2-(trifluoromethyl)anilino]-2-keto-1-phenyl-ethyl] ester Formula: C29H19ClF3NO4 MolecularWeight: 537.91367

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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)C3C4=CC=CC=C4OC5=CC=CC=C35

Isomeric SMILES

C1=CC=C(C=C1)C(C(=O)NC2=C(C=C(C=C2)Cl)C(F)(F)F)OC(=O)C3C4=CC=CC=C4OC5=CC=CC=C35

InChI

InChI=1S/C29H19ClF3NO4/c30-18-14-15-22(21(16-18)29(31,32)33)34-27(35)26(17-8-2-1-3-9-17)38-28(36)25-19-10-4-6-12-23(19)37-24-13-7-5-11-20(24)25/h1-16,25-26H,(H,34,35)