(4,5-dimethoxy-2-nitro-phenyl)methyl 1-methylimidazol-1-ium-1-carboxylate chloride

Systemtic Name: (4,5-dimethoxy-2-nitro-phenyl)methyl 1-methylimidazol-1-ium-1-carboxylate chloride Openeye Name: (4,5-dimethoxy-2-nitro-phenyl)methyl 1-methylimidazol-1-ium-1-carboxylate chloride CAS Name: 1-methyl-1-imidazol-1-iumcarboxylic acid (4,5-dimethoxy-2-nitrophenyl)methyl ester chloride IUPAC Name: (4,5-dimethoxy-2-nitrophenyl)methyl 1-methylimidazol-1-ium-1-carboxylate chloride Traditional Name: 1-methylimidazol-1-ium-1-carboxylic acid (4,5-dimethoxy-2-nitro-benzyl) ester chloride Formula: C14H16ClN3O6 MolecularWeight: 357.74634

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(C=CN=C1)C(=O)OCC2=CC(=C(C=C2[N+](=O)[O-])OC)OC.[Cl-]

Isomeric SMILES

C[N+]1(C=CN=C1)C(=O)OCC2=CC(=C(C=C2[N+](=O)[O-])OC)OC.[Cl-]

InChI

InChI=1S/C14H16N3O6.ClH/c1-17(5-4-15-9-17)14(18)23-8-10-6-12(21-2)13(22-3)7-11(10)16(19)20;/h4-7,9H,8H2,1-3H3;1H/q+1;/p-1