ethyl 2-cyano-3-(3-methoxyphenyl)-5-oxidanylidene-hexanoate

Systemtic Name: ethyl 2-cyano-3-(3-methoxyphenyl)-5-oxidanylidene-hexanoate Openeye Name: ethyl 2-cyano-3-(3-methoxyphenyl)-5-oxo-hexanoate CAS Name: 2-cyano-3-(3-methoxyphenyl)-5-oxohexanoic acid ethyl ester IUPAC Name: ethyl 2-cyano-3-(3-methoxyphenyl)-5-oxohexanoate Traditional Name: 2-cyano-5-keto-3-(3-methoxyphenyl)hexanoic acid ethyl ester Formula: C16H19NO4 MolecularWeight: 289.32636

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19NO4/c1-4-21-16(19)15(10-17)14(8-11(2)18)12-6-5-7-13(9-12)20-3/h5-7,9,14-15H,4,8H2,1-3H3