ethyl 6-(3-chlorophenyl)-6-cyano-3,3-dimethyl-5-oxidanylidene-hexanoate

Systemtic Name: ethyl 6-(3-chlorophenyl)-6-cyano-3,3-dimethyl-5-oxidanylidene-hexanoate Openeye Name: ethyl 6-(3-chlorophenyl)-6-cyano-3,3-dimethyl-5-oxo-hexanoate CAS Name: 6-(3-chlorophenyl)-6-cyano-3,3-dimethyl-5-oxohexanoic acid ethyl ester IUPAC Name: ethyl 6-(3-chlorophenyl)-6-cyano-3,3-dimethyl-5-oxohexanoate Traditional Name: 6-(3-chlorophenyl)-6-cyano-5-keto-3,3-dimethyl-hexanoic acid ethyl ester Formula: C17H20ClNO3 MolecularWeight: 321.7986

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20ClNO3/c1-4-22-16(21)10-17(2,3)9-15(20)14(11-19)12-6-5-7-13(18)8-12/h5-8,14H,4,9-10H2,1-3H3