2-(carboxymethyl)-5-(3-chlorophenyl)carbonyl-1-methyl-4-(trifluoromethyl)pyrrole-3-carboxylic acid

Systemtic Name: 2-(carboxymethyl)-5-(3-chlorophenyl)carbonyl-1-methyl-4-(trifluoromethyl)pyrrole-3-carboxylic acid Openeye Name: 2-(carboxymethyl)-5-(3-chlorobenzoyl)-1-methyl-4-(trifluoromethyl)pyrrole-3-carboxylic acid CAS Name: 2-(carboxymethyl)-5-[(3-chlorophenyl)-oxomethyl]-1-methyl-4-(trifluoromethyl)-3-pyrrolecarboxylic acid IUPAC Name: 2-(carboxymethyl)-5-(3-chlorobenzoyl)-1-methyl-4-(trifluoromethyl)pyrrole-3-carboxylic acid Traditional Name: 2-(carboxymethyl)-5-(3-chlorobenzoyl)-1-methyl-4-(trifluoromethyl)pyrrole-3-carboxylic acid Formula: C16H11ClF3NO5 MolecularWeight: 389.71045

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H11ClF3NO5/c1-21-9(6-10(22)23)11(15(25)26)12(16(18,19)20)13(21)14(24)7-3-2-4-8(17)5-7/h2-5H,6H2,1H3,(H,22,23)(H,25,26)