N-(3-chloranyl-4-cyano-phenyl)-2-methyl-butanamide

Systemtic Name: N-(3-chloranyl-4-cyano-phenyl)-2-methyl-butanamide Openeye Name: N-(3-chloro-4-cyano-phenyl)-2-methyl-butanamide CAS Name: N-(3-chloro-4-cyanophenyl)-2-methylbutanamide IUPAC Name: N-(3-chloro-4-cyanophenyl)-2-methylbutanamide Traditional Name: N-(3-chloro-4-cyano-phenyl)-2-methyl-butyramide Formula: C12H13ClN2O MolecularWeight: 236.69742

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13ClN2O/c1-3-8(2)12(16)15-10-5-4-9(7-14)11(13)6-10/h4-6,8H,3H2,1-2H3,(H,15,16)