methyl 3-chloranyl-5-(1-cyano-2-oxidanylidene-3-phenyl-propyl)benzoate

Systemtic Name: methyl 3-chloranyl-5-(1-cyano-2-oxidanylidene-3-phenyl-propyl)benzoate Openeye Name: methyl 3-chloro-5-(1-cyano-2-oxo-3-phenyl-propyl)benzoate CAS Name: 3-chloro-5-(1-cyano-2-oxo-3-phenylpropyl)benzoic acid methyl ester IUPAC Name: methyl 3-chloro-5-(1-cyano-2-oxo-3-phenylpropyl)benzoate Traditional Name: 3-chloro-5-(1-cyano-2-keto-3-phenyl-propyl)benzoic acid methyl ester Formula: C18H14ClNO3 MolecularWeight: 327.76166

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)Cl)C(C#N)C(=O)CC2=CC=CC=C2

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)Cl)C(C#N)C(=O)CC2=CC=CC=C2

InChI

InChI=1S/C18H14ClNO3/c1-23-18(22)14-8-13(9-15(19)10-14)16(11-20)17(21)7-12-5-3-2-4-6-12/h2-6,8-10,16H,7H2,1H3