3-[3,3-dimethyl-5-(1,2-oxazol-5-yl)-2H-1-benzofuran-7-yl]-4-(trifluoromethyloxy)benzaldehyde

Systemtic Name: 3-[3,3-dimethyl-5-(1,2-oxazol-5-yl)-2H-1-benzofuran-7-yl]-4-(trifluoromethyloxy)benzaldehyde Openeye Name: 3-(5-isoxazol-5-yl-3,3-dimethyl-2H-benzofuran-7-yl)-4-(trifluoromethoxy)benzaldehyde CAS Name: 3-[5-(5-isoxazolyl)-3,3-dimethyl-2H-benzofuran-7-yl]-4-(trifluoromethoxy)benzaldehyde IUPAC Name: 3-[3,3-dimethyl-5-(1,2-oxazol-5-yl)-2H-1-benzofuran-7-yl]-4-(trifluoromethoxy)benzaldehyde Traditional Name: 3-(5-isoxazol-5-yl-3,3-dimethyl-coumaran-7-yl)-4-(trifluoromethoxy)benzaldehyde Formula: C21H16F3NO4 MolecularWeight: 403.35125

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Descriptors Computed from Structure

Canonical SMILES:

CC1(COC2=C(C=C(C=C21)C3=CC=NO3)C4=C(C=CC(=C4)C=O)OC(F)(F)F)C

Isomeric SMILES

CC1(COC2=C(C=C(C=C21)C3=CC=NO3)C4=C(C=CC(=C4)C=O)OC(F)(F)F)C

InChI

InChI=1S/C21H16F3NO4/c1-20(2)11-27-19-15(8-13(9-16(19)20)17-5-6-25-29-17)14-7-12(10-26)3-4-18(14)28-21(22,23)24/h3-10H,11H2,1-2H3