diethyl (Z)-but-2-enedioate; 1-ethenyl-3-methyl-imidazol-3-ium; chloride

Systemtic Name: diethyl (Z)-but-2-enedioate; 1-ethenyl-3-methyl-imidazol-3-ium; chloride Openeye Name: diethyl (Z)-but-2-enedioate; 1-methyl-3-vinyl-imidazol-1-ium; chloride CAS Name: (Z)-2-butenedioic acid diethyl ester; 1-ethenyl-3-methylimidazol-3-ium; chloride IUPAC Name: diethyl (Z)-but-2-enedioate; 1-ethenyl-3-methylimidazol-3-ium; chloride Traditional Name: (Z)-but-2-enedioic acid diethyl ester; 1-methyl-3-vinyl-imidazol-1-ium; chloride Formula: C14H21ClN2O4 MolecularWeight: 316.78054

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CC(=O)OCC.C[N+]1=CN(C=C1)C=C.[Cl-]

Isomeric SMILES

CCOC(=O)/C=C\C(=O)OCC.C[N+]1=CN(C=C1)C=C.[Cl-]

InChI

InChI=1S/C8H12O4.C6H9N2.ClH/c1-3-11-7(9)5-6-8(10)12-4-2;1-3-8-5-4-7(2)6-8;/h5-6H,3-4H2,1-2H3;3-6H,1H2,2H3;1H/q;+1;/p-1/b6-5-;;