2-[3-[[5-ethyl-2-(4-methyl-3-nitro-phenyl)-1,3-oxazol-4-yl]methoxy]phenyl]ethanoic acid

Systemtic Name: 2-[3-[[5-ethyl-2-(4-methyl-3-nitro-phenyl)-1,3-oxazol-4-yl]methoxy]phenyl]ethanoic acid Openeye Name: 2-[3-[[5-ethyl-2-(4-methyl-3-nitro-phenyl)oxazol-4-yl]methoxy]phenyl]acetic acid CAS Name: 2-[3-[[5-ethyl-2-(4-methyl-3-nitrophenyl)-4-oxazolyl]methoxy]phenyl]acetic acid IUPAC Name: 2-[3-[[5-ethyl-2-(4-methyl-3-nitrophenyl)-1,3-oxazol-4-yl]methoxy]phenyl]acetic acid Traditional Name: 2-[3-[[5-ethyl-2-(4-methyl-3-nitro-phenyl)oxazol-4-yl]methoxy]phenyl]acetic acid Formula: C21H20N2O6 MolecularWeight: 396.3933

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(N=C(O1)C2=CC(=C(C=C2)C)[N+](=O)[O-])COC3=CC=CC(=C3)CC(=O)O

Isomeric SMILES

CCC1=C(N=C(O1)C2=CC(=C(C=C2)C)[N+](=O)[O-])COC3=CC=CC(=C3)CC(=O)O

InChI

InChI=1S/C21H20N2O6/c1-3-19-17(12-28-16-6-4-5-14(9-16)10-20(24)25)22-21(29-19)15-8-7-13(2)18(11-15)23(26)27/h4-9,11H,3,10,12H2,1-2H3,(H,24,25)