3,5-dicyano-3-(3,4-dichlorophenyl)pentanoic acid

Systemtic Name: 3,5-dicyano-3-(3,4-dichlorophenyl)pentanoic acid Openeye Name: 3,5-dicyano-3-(3,4-dichlorophenyl)pentanoic acid CAS Name: 3,5-dicyano-3-(3,4-dichlorophenyl)pentanoic acid IUPAC Name: 3,5-dicyano-3-(3,4-dichlorophenyl)pentanoic acid Traditional Name: 3,5-dicyano-3-(3,4-dichlorophenyl)valeric acid Formula: C13H10Cl2N2O2 MolecularWeight: 297.1367

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H10Cl2N2O2/c14-10-3-2-9(6-11(10)15)13(8-17,4-1-5-16)7-12(18)19/h2-3,6H,1,4,7H2,(H,18,19)