1-(4-iodophenyl)-2,5-dimethyl-pyrrole-3-carboxylic acid

Systemtic Name: 1-(4-iodophenyl)-2,5-dimethyl-pyrrole-3-carboxylic acid Openeye Name: 1-(4-iodophenyl)-2,5-dimethyl-pyrrole-3-carboxylic acid CAS Name: 1-(4-iodophenyl)-2,5-dimethyl-3-pyrrolecarboxylic acid IUPAC Name: 1-(4-iodophenyl)-2,5-dimethylpyrrole-3-carboxylic acid Traditional Name: 1-(4-iodophenyl)-2,5-dimethyl-pyrrole-3-carboxylic acid Formula: C13H12INO2 MolecularWeight: 341.14435

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=C(C=C2)I)C)C(=O)O

Isomeric SMILES

CC1=CC(=C(N1C2=CC=C(C=C2)I)C)C(=O)O

InChI

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