2-[3-(4-chlorophenyl)carbonylpyrrol-1-yl]ethanoic acid

Systemtic Name: 2-[3-(4-chlorophenyl)carbonylpyrrol-1-yl]ethanoic acid Openeye Name: 2-[3-(4-chlorobenzoyl)pyrrol-1-yl]acetic acid CAS Name: 2-[3-[(4-chlorophenyl)-oxomethyl]-1-pyrrolyl]acetic acid IUPAC Name: 2-[3-(4-chlorobenzoyl)pyrrol-1-yl]acetic acid Traditional Name: 2-[3-(4-chlorobenzoyl)pyrrol-1-yl]acetic acid Formula: C13H10ClNO3 MolecularWeight: 263.6764

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)C2=CN(C=C2)CC(=O)O)Cl

Isomeric SMILES

C1=CC(=CC=C1C(=O)C2=CN(C=C2)CC(=O)O)Cl

InChI

InChI=1S/C13H10ClNO3/c14-11-3-1-9(2-4-11)13(18)10-5-6-15(7-10)8-12(16)17/h1-7H,8H2,(H,16,17)