5-(4-chlorophenyl)carbonyl-1-methyl-pyrrole-2-carboxylic acid

Systemtic Name: 5-(4-chlorophenyl)carbonyl-1-methyl-pyrrole-2-carboxylic acid Openeye Name: 5-(4-chlorobenzoyl)-1-methyl-pyrrole-2-carboxylic acid CAS Name: 5-[(4-chlorophenyl)-oxomethyl]-1-methyl-2-pyrrolecarboxylic acid IUPAC Name: 5-(4-chlorobenzoyl)-1-methylpyrrole-2-carboxylic acid Traditional Name: 5-(4-chlorobenzoyl)-1-methyl-pyrrole-2-carboxylic acid Formula: C13H10ClNO3 MolecularWeight: 263.6764

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H10ClNO3/c1-15-10(6-7-11(15)13(17)18)12(16)8-2-4-9(14)5-3-8/h2-7H,1H3,(H,17,18)