diethyl (Z)-but-2-enedioate; 1-ethenyl-3-ethyl-imidazol-3-ium; bromide

Systemtic Name: diethyl (Z)-but-2-enedioate; 1-ethenyl-3-ethyl-imidazol-3-ium; bromide Openeye Name: diethyl (Z)-but-2-enedioate; 1-ethyl-3-vinyl-imidazol-1-ium; bromide CAS Name: (Z)-2-butenedioic acid diethyl ester; 1-ethenyl-3-ethylimidazol-3-ium; bromide IUPAC Name: diethyl (Z)-but-2-enedioate; 1-ethenyl-3-ethylimidazol-3-ium; bromide Traditional Name: (Z)-but-2-enedioic acid diethyl ester; 1-ethyl-3-vinyl-imidazol-1-ium; bromide Formula: C15H23BrN2O4 MolecularWeight: 375.25812

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H12O4.C7H11N2.BrH/c1-3-11-7(9)5-6-8(10)12-4-2;1-3-8-5-6-9(4-2)7-8;/h5-6H,3-4H2,1-2H3;3,5-7H,1,4H2,2H3;1H/q;+1;/p-1/b6-5-;;