5-(4-chlorophenyl)carbonyl-1H-pyrrole-3-carboxylic acid

Systemtic Name: 5-(4-chlorophenyl)carbonyl-1H-pyrrole-3-carboxylic acid Openeye Name: 5-(4-chlorobenzoyl)-1H-pyrrole-3-carboxylic acid CAS Name: 5-[(4-chlorophenyl)-oxomethyl]-1H-pyrrole-3-carboxylic acid IUPAC Name: 5-(4-chlorobenzoyl)-1H-pyrrole-3-carboxylic acid Traditional Name: 5-(4-chlorobenzoyl)-1H-pyrrole-3-carboxylic acid Formula: C12H8ClNO3 MolecularWeight: 249.64982

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)C2=CC(=CN2)C(=O)O)Cl

Isomeric SMILES

C1=CC(=CC=C1C(=O)C2=CC(=CN2)C(=O)O)Cl

InChI

InChI=1S/C12H8ClNO3/c13-9-3-1-7(2-4-9)11(15)10-5-8(6-14-10)12(16)17/h1-6,14H,(H,16,17)