methyl 2-chloranyl-2-cyano-5-oxidanylidene-4-phenyl-pentanoate

Systemtic Name: methyl 2-chloranyl-2-cyano-5-oxidanylidene-4-phenyl-pentanoate Openeye Name: methyl 2-chloro-2-cyano-5-oxo-4-phenyl-pentanoate CAS Name: 2-chloro-2-cyano-5-oxo-4-phenylpentanoic acid methyl ester IUPAC Name: methyl 2-chloro-2-cyano-5-oxo-4-phenylpentanoate Traditional Name: 2-chloro-2-cyano-5-keto-4-phenyl-valeric acid methyl ester Formula: C13H12ClNO3 MolecularWeight: 265.69228

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H12ClNO3/c1-18-12(17)13(14,9-15)7-11(8-16)10-5-3-2-4-6-10/h2-6,8,11H,7H2,1H3