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

Systemtic Name: 4-(3-chlorophenyl)carbonyl-1-methyl-pyrrole-2-carboxylic acid Openeye Name: 4-(3-chlorobenzoyl)-1-methyl-pyrrole-2-carboxylic acid CAS Name: 4-[(3-chlorophenyl)-oxomethyl]-1-methyl-2-pyrrolecarboxylic acid IUPAC Name: 4-(3-chlorobenzoyl)-1-methylpyrrole-2-carboxylic acid Traditional Name: 4-(3-chlorobenzoyl)-1-methyl-pyrrole-2-carboxylic acid Formula: C13H10ClNO3 MolecularWeight: 263.6764

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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