5-[[1-(4-chloranyl-2-oxidanyl-phenyl)-4-methyl-2-oxidanyl-2-(trifluoromethyl)pent-3-enyl]amino]isochromen-1-one

Systemtic Name: 5-[[1-(4-chloranyl-2-oxidanyl-phenyl)-4-methyl-2-oxidanyl-2-(trifluoromethyl)pent-3-enyl]amino]isochromen-1-one Openeye Name: 5-[[1-(4-chloro-2-hydroxy-phenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pent-3-enyl]amino]isochromen-1-one CAS Name: 5-[[1-(4-chloro-2-hydroxyphenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pent-3-enyl]amino]-2-benzopyran-1-one IUPAC Name: 5-[[1-(4-chloro-2-hydroxyphenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pent-3-enyl]amino]isochromen-1-one Traditional Name: 5-[[1-(4-chloro-2-hydroxy-phenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pent-3-enyl]amino]isocoumarin Formula: C22H19ClF3NO4 MolecularWeight: 453.83877

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(C(C1=C(C=C(C=C1)Cl)O)NC2=CC=CC3=C2C=COC3=O)(C(F)(F)F)O)C

Isomeric SMILES

CC(=CC(C(C1=C(C=C(C=C1)Cl)O)NC2=CC=CC3=C2C=COC3=O)(C(F)(F)F)O)C

InChI

InChI=1S/C22H19ClF3NO4/c1-12(2)11-21(30,22(24,25)26)19(16-7-6-13(23)10-18(16)28)27-17-5-3-4-15-14(17)8-9-31-20(15)29/h3-11,19,27-28,30H,1-2H3