4,5-bis(chloranyl)-1-phenethyl-pyrrole-2-carboxylic acid

Systemtic Name: 4,5-bis(chloranyl)-1-phenethyl-pyrrole-2-carboxylic acid Openeye Name: 4,5-dichloro-1-phenethyl-pyrrole-2-carboxylic acid CAS Name: 4,5-dichloro-1-phenethyl-2-pyrrolecarboxylic acid IUPAC Name: 4,5-dichloro-1-phenethylpyrrole-2-carboxylic acid Traditional Name: 4,5-dichloro-1-phenethyl-pyrrole-2-carboxylic acid Formula: C13H11Cl2NO2 MolecularWeight: 284.13794

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN2C(=CC(=C2Cl)Cl)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CCN2C(=CC(=C2Cl)Cl)C(=O)O

InChI

InChI=1S/C13H11Cl2NO2/c14-10-8-11(13(17)18)16(12(10)15)7-6-9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H,17,18)