ethyl 1-[(4-iodophenyl)methyl]imidazole-4-carboxylate

Systemtic Name: ethyl 1-[(4-iodophenyl)methyl]imidazole-4-carboxylate Openeye Name: ethyl 1-[(4-iodophenyl)methyl]imidazole-4-carboxylate CAS Name: 1-[(4-iodophenyl)methyl]-4-imidazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(4-iodophenyl)methyl]imidazole-4-carboxylate Traditional Name: 1-(4-iodobenzyl)imidazole-4-carboxylic acid ethyl ester Formula: C13H13IN2O2 MolecularWeight: 356.15899

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN(C=N1)CC2=CC=C(C=C2)I

Isomeric SMILES

CCOC(=O)C1=CN(C=N1)CC2=CC=C(C=C2)I

InChI

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