4-[(3-chlorophenyl)-oxidanyl-methyl]-1-methyl-pyrrole-2-carboxylic acid

Systemtic Name: 4-[(3-chlorophenyl)-oxidanyl-methyl]-1-methyl-pyrrole-2-carboxylic acid Openeye Name: 4-[(3-chlorophenyl)-hydroxy-methyl]-1-methyl-pyrrole-2-carboxylic acid CAS Name: 4-[(3-chlorophenyl)-hydroxymethyl]-1-methyl-2-pyrrolecarboxylic acid IUPAC Name: 4-[(3-chlorophenyl)-hydroxymethyl]-1-methylpyrrole-2-carboxylic acid Traditional Name: 4-[(3-chlorophenyl)-hydroxy-methyl]-1-methyl-pyrrole-2-carboxylic acid Formula: C13H12ClNO3 MolecularWeight: 265.69228

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=C1C(=O)O)C(C2=CC(=CC=C2)Cl)O

Isomeric SMILES

CN1C=C(C=C1C(=O)O)C(C2=CC(=CC=C2)Cl)O

InChI

InChI=1S/C13H12ClNO3/c1-15-7-9(6-11(15)13(17)18)12(16)8-3-2-4-10(14)5-8/h2-7,12,16H,1H3,(H,17,18)