ethyl 4-[(E)-3-(3-ethanoyl-2H-imidazol-1-yl)prop-1-enyl]benzoate bromide

Systemtic Name: ethyl 4-[(E)-3-(3-ethanoyl-2H-imidazol-1-yl)prop-1-enyl]benzoate bromide Openeye Name: ethyl 4-[(E)-3-(3-acetyl-2H-imidazol-1-yl)prop-1-enyl]benzoate bromide CAS Name: 4-[(E)-3-(3-acetyl-2H-imidazol-1-yl)prop-1-enyl]benzoic acid ethyl ester bromide IUPAC Name: ethyl 4-[(E)-3-(3-acetyl-2H-imidazol-1-yl)prop-1-enyl]benzoate bromide Traditional Name: 4-[(E)-3-(3-acetyl-4-imidazolin-1-yl)prop-1-enyl]benzoic acid ethyl ester bromide Formula: C17H20BrN2O3- MolecularWeight: 380.2563

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)C=CCN2CN(C=C2)C(=O)C.[Br-]

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)/C=C/CN2CN(C=C2)C(=O)C.[Br-]

InChI

InChI=1S/C17H20N2O3.BrH/c1-3-22-17(21)16-8-6-15(7-9-16)5-4-10-18-11-12-19(13-18)14(2)20;/h4-9,11-12H,3,10,13H2,1-2H3;1H/p-1/b5-4+;