3-[1-(4-iodophenyl)ethyl]imidazole-4-carboxylate

Systemtic Name: 3-[1-(4-iodophenyl)ethyl]imidazole-4-carboxylate Openeye Name: 3-[1-(4-iodophenyl)ethyl]imidazole-4-carboxylate CAS Name: 3-[1-(4-iodophenyl)ethyl]-4-imidazolecarboxylate IUPAC Name: 3-[1-(4-iodophenyl)ethyl]imidazole-4-carboxylate Traditional Name: 3-[1-(4-iodophenyl)ethyl]imidazole-4-carboxylate Formula: C12H10IN2O2- MolecularWeight: 341.12447

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)I)N2C=NC=C2C(=O)[O-]

Isomeric SMILES

CC(C1=CC=C(C=C1)I)N2C=NC=C2C(=O)[O-]

InChI

InChI=1S/C12H11IN2O2/c1-8(9-2-4-10(13)5-3-9)15-7-14-6-11(15)12(16)17/h2-8H,1H3,(H,16,17)/p-1