5-(3-chlorophenyl)carbonyl-1-methyl-pyrrole-3-carboxylic acid

Systemtic Name: 5-(3-chlorophenyl)carbonyl-1-methyl-pyrrole-3-carboxylic acid Openeye Name: 5-(3-chlorobenzoyl)-1-methyl-pyrrole-3-carboxylic acid CAS Name: 5-[(3-chlorophenyl)-oxomethyl]-1-methyl-3-pyrrolecarboxylic acid IUPAC Name: 5-(3-chlorobenzoyl)-1-methylpyrrole-3-carboxylic acid Traditional Name: 5-(3-chlorobenzoyl)-1-methyl-pyrrole-3-carboxylic acid Formula: C13H10ClNO3 MolecularWeight: 263.6764

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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