methyl 5-(2-imidazol-1-yl-1-oxidanyl-ethyl)-2-oxidanyl-benzoate

Systemtic Name: methyl 5-(2-imidazol-1-yl-1-oxidanyl-ethyl)-2-oxidanyl-benzoate Openeye Name: methyl 2-hydroxy-5-(1-hydroxy-2-imidazol-1-yl-ethyl)benzoate CAS Name: 2-hydroxy-5-[1-hydroxy-2-(1-imidazolyl)ethyl]benzoic acid methyl ester IUPAC Name: methyl 2-hydroxy-5-(1-hydroxy-2-imidazol-1-ylethyl)benzoate Traditional Name: 2-hydroxy-5-(1-hydroxy-2-imidazol-1-yl-ethyl)benzoic acid methyl ester Formula: C13H14N2O4 MolecularWeight: 262.26126

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CC(=C1)C(CN2C=CN=C2)O)O

Isomeric SMILES

COC(=O)C1=C(C=CC(=C1)C(CN2C=CN=C2)O)O

InChI

InChI=1S/C13H14N2O4/c1-19-13(18)10-6-9(2-3-11(10)16)12(17)7-15-5-4-14-8-15/h2-6,8,12,16-17H,7H2,1H3