methyl 4-[1,3-bis(oxidanidyl)imidazol-1-ium-2-yl]benzoate

Systemtic Name: methyl 4-[1,3-bis(oxidanidyl)imidazol-1-ium-2-yl]benzoate Openeye Name: methyl 4-(1,3-dioxidoimidazol-1-ium-2-yl)benzoate CAS Name: 4-(1,3-dioxido-2-imidazol-1-iumyl)benzoic acid methyl ester IUPAC Name: methyl 4-(1,3-dioxidoimidazol-1-ium-2-yl)benzoate Traditional Name: 4-(1,3-dioxidoimidazol-1-ium-2-yl)benzoic acid methyl ester Formula: C11H9N2O4- MolecularWeight: 233.20016

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C2=[N+](C=CN2[O-])[O-]

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C2=[N+](C=CN2[O-])[O-]

InChI

InChI=1S/C11H9N2O4/c1-17-11(14)9-4-2-8(3-5-9)10-12(15)6-7-13(10)16/h2-7H,1H3/q-1