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

Systemtic Name: methyl 4-(1-oxidanidyl-3-oxidanyl-imidazol-1-ium-2-yl)benzoate Openeye Name: methyl 4-(1-hydroxy-3-oxido-imidazol-3-ium-2-yl)benzoate CAS Name: 4-(1-hydroxy-3-oxido-2-imidazol-3-iumyl)benzoic acid methyl ester IUPAC Name: methyl 4-(1-hydroxy-3-oxidoimidazol-3-ium-2-yl)benzoate Traditional Name: 4-(1-hydroxy-3-oxido-imidazol-3-ium-2-yl)benzoic acid methyl ester Formula: C11H10N2O4 MolecularWeight: 234.2081

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C2=[N+](C=CN2O)[O-]

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C2=[N+](C=CN2O)[O-]

InChI

InChI=1S/C11H10N2O4/c1-17-11(14)9-4-2-8(3-5-9)10-12(15)6-7-13(10)16/h2-7,15H,1H3