3-[1-(1H-imidazol-5-yl)ethyl]-2,6-bis(oxidanyl)benzoate

Systemtic Name: 3-[1-(1H-imidazol-5-yl)ethyl]-2,6-bis(oxidanyl)benzoate Openeye Name: 2,6-dihydroxy-3-[1-(1H-imidazol-5-yl)ethyl]benzoate CAS Name: 2,6-dihydroxy-3-[1-(1H-imidazol-5-yl)ethyl]benzoate IUPAC Name: 2,6-dihydroxy-3-[1-(1H-imidazol-5-yl)ethyl]benzoate Traditional Name: 2,6-dihydroxy-3-[1-(1H-imidazol-5-yl)ethyl]benzoate Formula: C12H11N2O4- MolecularWeight: 247.22674

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=C(C(=C(C=C1)O)C(=O)[O-])O)C2=CN=CN2

Isomeric SMILES

CC(C1=C(C(=C(C=C1)O)C(=O)[O-])O)C2=CN=CN2

InChI

InChI=1S/C12H12N2O4/c1-6(8-4-13-5-14-8)7-2-3-9(15)10(11(7)16)12(17)18/h2-6,15-16H,1H3,(H,13,14)(H,17,18)/p-1