3-[(3-chloranyl-4-cyano-phenyl)amino]butanoic acid

Systemtic Name: 3-[(3-chloranyl-4-cyano-phenyl)amino]butanoic acid Openeye Name: 3-(3-chloro-4-cyano-anilino)butanoic acid CAS Name: 3-(3-chloro-4-cyanoanilino)butanoic acid IUPAC Name: 3-(3-chloro-4-cyanoanilino)butanoic acid Traditional Name: 3-(3-chloro-4-cyano-anilino)butyric acid Formula: C11H11ClN2O2 MolecularWeight: 238.67024

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)O)NC1=CC(=C(C=C1)C#N)Cl

Isomeric SMILES

CC(CC(=O)O)NC1=CC(=C(C=C1)C#N)Cl

InChI

InChI=1S/C11H11ClN2O2/c1-7(4-11(15)16)14-9-3-2-8(6-13)10(12)5-9/h2-3,5,7,14H,4H2,1H3,(H,15,16)