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

Systemtic Name: (4,5-dimethoxy-2-nitro-phenyl)methyl 1-methylimidazol-1-ium-1-carboxylate Openeye Name: (4,5-dimethoxy-2-nitro-phenyl)methyl 1-methylimidazol-1-ium-1-carboxylate CAS Name: 1-methyl-1-imidazol-1-iumcarboxylic acid (4,5-dimethoxy-2-nitrophenyl)methyl ester IUPAC Name: (4,5-dimethoxy-2-nitrophenyl)methyl 1-methylimidazol-1-ium-1-carboxylate Traditional Name: 1-methylimidazol-1-ium-1-carboxylic acid (4,5-dimethoxy-2-nitro-benzyl) ester Formula: C14H16N3O6+ MolecularWeight: 322.29334

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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

Isomeric SMILES

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

InChI

InChI=1S/C14H16N3O6/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/q+1