4-(1,4,5-trimethylimidazol-2-yl)benzoate

Systemtic Name: 4-(1,4,5-trimethylimidazol-2-yl)benzoate Openeye Name: 4-(1,4,5-trimethylimidazol-2-yl)benzoate CAS Name: 4-(1,4,5-trimethyl-2-imidazolyl)benzoate IUPAC Name: 4-(1,4,5-trimethylimidazol-2-yl)benzoate Traditional Name: 4-(1,4,5-trimethylimidazol-2-yl)benzoate Formula: C13H13N2O2- MolecularWeight: 229.25452

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=N1)C2=CC=C(C=C2)C(=O)[O-])C)C

Isomeric SMILES

CC1=C(N(C(=N1)C2=CC=C(C=C2)C(=O)[O-])C)C

InChI

InChI=1S/C13H14N2O2/c1-8-9(2)15(3)12(14-8)10-4-6-11(7-5-10)13(16)17/h4-7H,1-3H3,(H,16,17)/p-1