ethyl 4-[(4-bromophenyl)carbamoyl]-1H-imidazol-3-ium-5-carboxylate

Systemtic Name: ethyl 4-[(4-bromophenyl)carbamoyl]-1H-imidazol-3-ium-5-carboxylate Openeye Name: ethyl 4-[(4-bromophenyl)carbamoyl]-1H-imidazol-3-ium-5-carboxylate CAS Name: 4-[(4-bromoanilino)-oxomethyl]-1H-imidazol-3-ium-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[(4-bromophenyl)carbamoyl]-1H-imidazol-3-ium-5-carboxylate Traditional Name: 4-[(4-bromophenyl)carbamoyl]-1H-imidazol-3-ium-5-carboxylic acid ethyl ester Formula: C13H13BrN3O3+ MolecularWeight: 339.16462

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C([NH+]=CN1)C(=O)NC2=CC=C(C=C2)Br

Isomeric SMILES

CCOC(=O)C1=C([NH+]=CN1)C(=O)NC2=CC=C(C=C2)Br

InChI

InChI=1S/C13H12BrN3O3/c1-2-20-13(19)11-10(15-7-16-11)12(18)17-9-5-3-8(14)4-6-9/h3-7H,2H2,1H3,(H,15,16)(H,17,18)/p+1