methyl 4-(4,5-dimethyl-1-oxidanidyl-3-oxidanyl-imidazol-1-ium-2-yl)benzoate

Systemtic Name: methyl 4-(4,5-dimethyl-1-oxidanidyl-3-oxidanyl-imidazol-1-ium-2-yl)benzoate Openeye Name: methyl 4-(1-hydroxy-4,5-dimethyl-3-oxido-imidazol-3-ium-2-yl)benzoate CAS Name: 4-(1-hydroxy-4,5-dimethyl-3-oxido-2-imidazol-3-iumyl)benzoic acid methyl ester IUPAC Name: methyl 4-(1-hydroxy-4,5-dimethyl-3-oxidoimidazol-3-ium-2-yl)benzoate Traditional Name: 4-(1-hydroxy-4,5-dimethyl-3-oxido-imidazol-3-ium-2-yl)benzoic acid methyl ester Formula: C13H14N2O4 MolecularWeight: 262.26126

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C([N+](=C(N1O)C2=CC=C(C=C2)C(=O)OC)[O-])C

Isomeric SMILES

CC1=C([N+](=C(N1O)C2=CC=C(C=C2)C(=O)OC)[O-])C

InChI

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