3-(3-chlorophenyl)-3-cyano-pentanedioic acid

Systemtic Name: 3-(3-chlorophenyl)-3-cyano-pentanedioic acid Openeye Name: 3-(3-chlorophenyl)-3-cyano-pentanedioic acid CAS Name: 3-(3-chlorophenyl)-3-cyanopentanedioic acid IUPAC Name: 3-(3-chlorophenyl)-3-cyanopentanedioic acid Traditional Name: 3-(3-chlorophenyl)-3-cyano-glutaric acid Formula: C12H10ClNO4 MolecularWeight: 267.6651

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Cl)C(CC(=O)O)(CC(=O)O)C#N

Isomeric SMILES

C1=CC(=CC(=C1)Cl)C(CC(=O)O)(CC(=O)O)C#N

InChI

InChI=1S/C12H10ClNO4/c13-9-3-1-2-8(4-9)12(7-14,5-10(15)16)6-11(17)18/h1-4H,5-6H2,(H,15,16)(H,17,18)