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

Systemtic Name: 2-[3-(3-chlorophenyl)-4-cyano-pyrrol-1-yl]ethanoic acid Openeye Name: 2-[3-(3-chlorophenyl)-4-cyano-pyrrol-1-yl]acetic acid CAS Name: 2-[3-(3-chlorophenyl)-4-cyano-1-pyrrolyl]acetic acid IUPAC Name: 2-[3-(3-chlorophenyl)-4-cyanopyrrol-1-yl]acetic acid Traditional Name: 2-[3-(3-chlorophenyl)-4-cyano-pyrrol-1-yl]acetic acid Formula: C13H9ClN2O2 MolecularWeight: 260.67576

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Cl)C2=CN(C=C2C#N)CC(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)Cl)C2=CN(C=C2C#N)CC(=O)O

InChI

InChI=1S/C13H9ClN2O2/c14-11-3-1-2-9(4-11)12-7-16(8-13(17)18)6-10(12)5-15/h1-4,6-7H,8H2,(H,17,18)