1-(3-iodanylphenyl)-2,5-dimethyl-pyrrole-3-carboxylate

Systemtic Name: 1-(3-iodanylphenyl)-2,5-dimethyl-pyrrole-3-carboxylate Openeye Name: 1-(3-iodophenyl)-2,5-dimethyl-pyrrole-3-carboxylate CAS Name: 1-(3-iodophenyl)-2,5-dimethyl-3-pyrrolecarboxylate IUPAC Name: 1-(3-iodophenyl)-2,5-dimethylpyrrole-3-carboxylate Traditional Name: 1-(3-iodophenyl)-2,5-dimethyl-pyrrole-3-carboxylate Formula: C13H11INO2- MolecularWeight: 340.13641

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC(=CC=C2)I)C)C(=O)[O-]

Isomeric SMILES

CC1=CC(=C(N1C2=CC(=CC=C2)I)C)C(=O)[O-]

InChI

InChI=1S/C13H12INO2/c1-8-6-12(13(16)17)9(2)15(8)11-5-3-4-10(14)7-11/h3-7H,1-2H3,(H,16,17)/p-1