ethyl 3-[[4-[(E)-3-methoxy-3-oxidanylidene-prop-1-enyl]phenyl]methyl]-2H-imidazole-1-carboxylate bromide

Systemtic Name: ethyl 3-[[4-[(E)-3-methoxy-3-oxidanylidene-prop-1-enyl]phenyl]methyl]-2H-imidazole-1-carboxylate bromide Openeye Name: ethyl 3-[[4-[(E)-3-methoxy-3-oxo-prop-1-enyl]phenyl]methyl]-2H-imidazole-1-carboxylate bromide CAS Name: 3-[[4-[(E)-3-methoxy-3-oxoprop-1-enyl]phenyl]methyl]-2H-imidazole-1-carboxylic acid ethyl ester bromide IUPAC Name: ethyl 3-[[4-[(E)-3-methoxy-3-oxoprop-1-enyl]phenyl]methyl]-2H-imidazole-1-carboxylate bromide Traditional Name: 3-[4-[(E)-3-keto-3-methoxy-prop-1-enyl]benzyl]-4-imidazoline-1-carboxylic acid ethyl ester bromide Formula: C17H20BrN2O4- MolecularWeight: 396.2557

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CN(C=C1)CC2=CC=C(C=C2)C=CC(=O)OC.[Br-]

Isomeric SMILES

CCOC(=O)N1CN(C=C1)CC2=CC=C(C=C2)/C=C/C(=O)OC.[Br-]

InChI

InChI=1S/C17H20N2O4.BrH/c1-3-23-17(21)19-11-10-18(13-19)12-15-6-4-14(5-7-15)8-9-16(20)22-2;/h4-11H,3,12-13H2,1-2H3;1H/p-1/b9-8+;