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

Systemtic Name: 3-(carboxymethyl)-5-(4-chlorophenyl)carbonyl-4-methyl-1H-pyrrole-2-carboxylic acid Openeye Name: 3-(carboxymethyl)-5-(4-chlorobenzoyl)-4-methyl-1H-pyrrole-2-carboxylic acid CAS Name: 3-(carboxymethyl)-5-[(4-chlorophenyl)-oxomethyl]-4-methyl-1H-pyrrole-2-carboxylic acid IUPAC Name: 3-(carboxymethyl)-5-(4-chlorobenzoyl)-4-methyl-1H-pyrrole-2-carboxylic acid Traditional Name: 3-(carboxymethyl)-5-(4-chlorobenzoyl)-4-methyl-1H-pyrrole-2-carboxylic acid Formula: C15H12ClNO5 MolecularWeight: 321.71248

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1CC(=O)O)C(=O)O)C(=O)C2=CC=C(C=C2)Cl

Isomeric SMILES

CC1=C(NC(=C1CC(=O)O)C(=O)O)C(=O)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C15H12ClNO5/c1-7-10(6-11(18)19)13(15(21)22)17-12(7)14(20)8-2-4-9(16)5-3-8/h2-5,17H,6H2,1H3,(H,18,19)(H,21,22)