5-[(2,4,5-trimethylphenoxy)methyl]-1,3,4-oxadiazole-2-carboxylate

Systemtic Name: 5-[(2,4,5-trimethylphenoxy)methyl]-1,3,4-oxadiazole-2-carboxylate Openeye Name: 5-[(2,4,5-trimethylphenoxy)methyl]-1,3,4-oxadiazole-2-carboxylate CAS Name: 5-[(2,4,5-trimethylphenoxy)methyl]-1,3,4-oxadiazole-2-carboxylate IUPAC Name: 5-[(2,4,5-trimethylphenoxy)methyl]-1,3,4-oxadiazole-2-carboxylate Traditional Name: 5-[(2,4,5-trimethylphenoxy)methyl]-1,3,4-oxadiazole-2-carboxylate Formula: C13H13N2O4- MolecularWeight: 261.25332

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C)OCC2=NN=C(O2)C(=O)[O-])C

Isomeric SMILES

CC1=CC(=C(C=C1C)OCC2=NN=C(O2)C(=O)[O-])C

InChI

InChI=1S/C13H14N2O4/c1-7-4-9(3)10(5-8(7)2)18-6-11-14-15-12(19-11)13(16)17/h4-5H,6H2,1-3H3,(H,16,17)/p-1