4-(4-iodophenyl)carbonyl-1H-pyrrole-2-carboxylic acid

Systemtic Name: 4-(4-iodophenyl)carbonyl-1H-pyrrole-2-carboxylic acid Openeye Name: 4-(4-iodobenzoyl)-1H-pyrrole-2-carboxylic acid CAS Name: 4-[(4-iodophenyl)-oxomethyl]-1H-pyrrole-2-carboxylic acid IUPAC Name: 4-(4-iodobenzoyl)-1H-pyrrole-2-carboxylic acid Traditional Name: 4-(4-iodobenzoyl)-1H-pyrrole-2-carboxylic acid Formula: C12H8INO3 MolecularWeight: 341.10129

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)C2=CNC(=C2)C(=O)O)I

Isomeric SMILES

C1=CC(=CC=C1C(=O)C2=CNC(=C2)C(=O)O)I

InChI

InChI=1S/C12H8INO3/c13-9-3-1-7(2-4-9)11(15)8-5-10(12(16)17)14-6-8/h1-6,14H,(H,16,17)