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

Systemtic Name: 2-methyl-2-[4-[[3-(4-nitrophenyl)-1,2-oxazol-5-yl]methoxy]phenoxy]butanoic acid Openeye Name: 2-methyl-2-[4-[[3-(4-nitrophenyl)isoxazol-5-yl]methoxy]phenoxy]butanoic acid CAS Name: 2-methyl-2-[4-[[3-(4-nitrophenyl)-5-isoxazolyl]methoxy]phenoxy]butanoic acid IUPAC Name: 2-methyl-2-[4-[[3-(4-nitrophenyl)-1,2-oxazol-5-yl]methoxy]phenoxy]butanoic acid Traditional Name: 2-methyl-2-[4-[[3-(4-nitrophenyl)isoxazol-5-yl]methoxy]phenoxy]butyric acid Formula: C21H20N2O7 MolecularWeight: 412.3927

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20N2O7/c1-3-21(2,20(24)25)29-17-10-8-16(9-11-17)28-13-18-12-19(22-30-18)14-4-6-15(7-5-14)23(26)27/h4-12H,3,13H2,1-2H3,(H,24,25)