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

Systemtic Name: phenyl 2-chloranyl-3-(1-cyano-2-oxidanylidene-3-phenyl-propyl)benzoate Openeye Name: phenyl 2-chloro-3-(1-cyano-2-oxo-3-phenyl-propyl)benzoate CAS Name: 2-chloro-3-(1-cyano-2-oxo-3-phenylpropyl)benzoic acid phenyl ester IUPAC Name: phenyl 2-chloro-3-(1-cyano-2-oxo-3-phenylpropyl)benzoate Traditional Name: 2-chloro-3-(1-cyano-2-keto-3-phenyl-propyl)benzoic acid phenyl ester Formula: C23H16ClNO3 MolecularWeight: 389.83104

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(=O)C(C#N)C2=CC=CC(=C2Cl)C(=O)OC3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)CC(=O)C(C#N)C2=CC=CC(=C2Cl)C(=O)OC3=CC=CC=C3

InChI

InChI=1S/C23H16ClNO3/c24-22-18(20(15-25)21(26)14-16-8-3-1-4-9-16)12-7-13-19(22)23(27)28-17-10-5-2-6-11-17/h1-13,20H,14H2