3-(3-chloranyl-4-methoxy-phenyl)-3-cyano-pentanedioic acid

Systemtic Name: 3-(3-chloranyl-4-methoxy-phenyl)-3-cyano-pentanedioic acid Openeye Name: 3-(3-chloro-4-methoxy-phenyl)-3-cyano-pentanedioic acid CAS Name: 3-(3-chloro-4-methoxyphenyl)-3-cyanopentanedioic acid IUPAC Name: 3-(3-chloro-4-methoxyphenyl)-3-cyanopentanedioic acid Traditional Name: 3-(3-chloro-4-methoxy-phenyl)-3-cyano-glutaric acid Formula: C13H12ClNO5 MolecularWeight: 297.69108

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(CC(=O)O)(CC(=O)O)C#N)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)C(CC(=O)O)(CC(=O)O)C#N)Cl

InChI

InChI=1S/C13H12ClNO5/c1-20-10-3-2-8(4-9(10)14)13(7-15,5-11(16)17)6-12(18)19/h2-4H,5-6H2,1H3,(H,16,17)(H,18,19)