dimethyl 2-[2-(3-prop-2-enylimidazol-1-ium-1-yl)ethanoylamino]benzene-1,4-dicarboxylate chloride

Systemtic Name: dimethyl 2-[2-(3-prop-2-enylimidazol-1-ium-1-yl)ethanoylamino]benzene-1,4-dicarboxylate chloride Openeye Name: dimethyl 2-[[2-(3-allylimidazol-1-ium-1-yl)acetyl]amino]benzene-1,4-dicarboxylate chloride CAS Name: 2-[[1-oxo-2-(3-prop-2-enyl-1-imidazol-1-iumyl)ethyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester chloride IUPAC Name: dimethyl 2-[[2-(3-prop-2-enylimidazol-1-ium-1-yl)acetyl]amino]benzene-1,4-dicarboxylate chloride Traditional Name: 2-[[2-(3-allylimidazol-1-ium-1-yl)acetyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester chloride Formula: C18H20ClN3O5 MolecularWeight: 393.8215

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)C(=O)OC)NC(=O)C[N+]2=CN(C=C2)CC=C.[Cl-]

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)C(=O)OC)NC(=O)C[N+]2=CN(C=C2)CC=C.[Cl-]

InChI

InChI=1S/C18H19N3O5.ClH/c1-4-7-20-8-9-21(12-20)11-16(22)19-15-10-13(17(23)25-2)5-6-14(15)18(24)26-3;/h4-6,8-10,12H,1,7,11H2,2-3H3;1H