2-methyl-2-[4-[[3-(4-nitrophenyl)-1,2-oxazol-5-yl]methoxy]phenoxy]propanoic acid

Systemtic Name: 2-methyl-2-[4-[[3-(4-nitrophenyl)-1,2-oxazol-5-yl]methoxy]phenoxy]propanoic acid Openeye Name: 2-methyl-2-[4-[[3-(4-nitrophenyl)isoxazol-5-yl]methoxy]phenoxy]propanoic acid CAS Name: 2-methyl-2-[4-[[3-(4-nitrophenyl)-5-isoxazolyl]methoxy]phenoxy]propanoic acid IUPAC Name: 2-methyl-2-[4-[[3-(4-nitrophenyl)-1,2-oxazol-5-yl]methoxy]phenoxy]propanoic acid Traditional Name: 2-methyl-2-[4-[[3-(4-nitrophenyl)isoxazol-5-yl]methoxy]phenoxy]propionic acid Formula: C20H18N2O7 MolecularWeight: 398.36612

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)O)OC1=CC=C(C=C1)OCC2=CC(=NO2)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C(=O)O)OC1=CC=C(C=C1)OCC2=CC(=NO2)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H18N2O7/c1-20(2,19(23)24)28-16-9-7-15(8-10-16)27-12-17-11-18(21-29-17)13-3-5-14(6-4-13)22(25)26/h3-11H,12H2,1-2H3,(H,23,24)