ethyl 3-[(4-iodophenyl)methyl]imidazole-4-carboxylate

Systemtic Name: ethyl 3-[(4-iodophenyl)methyl]imidazole-4-carboxylate Openeye Name: ethyl 3-[(4-iodophenyl)methyl]imidazole-4-carboxylate CAS Name: 3-[(4-iodophenyl)methyl]-4-imidazolecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[(4-iodophenyl)methyl]imidazole-4-carboxylate Traditional Name: 3-(4-iodobenzyl)imidazole-4-carboxylic acid ethyl ester Formula: C13H13IN2O2 MolecularWeight: 356.15899

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=CN1CC2=CC=C(C=C2)I

Isomeric SMILES

CCOC(=O)C1=CN=CN1CC2=CC=C(C=C2)I

InChI

InChI=1S/C13H13IN2O2/c1-2-18-13(17)12-7-15-9-16(12)8-10-3-5-11(14)6-4-10/h3-7,9H,2,8H2,1H3