3-(4-chlorophenyl)-3-cyano-pentanedioic acid

Systemtic Name: 3-(4-chlorophenyl)-3-cyano-pentanedioic acid Openeye Name: 3-(4-chlorophenyl)-3-cyano-pentanedioic acid CAS Name: 3-(4-chlorophenyl)-3-cyanopentanedioic acid IUPAC Name: 3-(4-chlorophenyl)-3-cyanopentanedioic acid Traditional Name: 3-(4-chlorophenyl)-3-cyano-glutaric acid Formula: C12H10ClNO4 MolecularWeight: 267.6651

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(CC(=O)O)(CC(=O)O)C#N)Cl

Isomeric SMILES

C1=CC(=CC=C1C(CC(=O)O)(CC(=O)O)C#N)Cl

InChI

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