[3-(3-chlorophenyl)-3-cyano-propyl] 3-oxidanylidenebutanoate

Systemtic Name: [3-(3-chlorophenyl)-3-cyano-propyl] 3-oxidanylidenebutanoate Openeye Name: [3-(3-chlorophenyl)-3-cyano-propyl] 3-oxobutanoate CAS Name: 3-oxobutanoic acid [3-(3-chlorophenyl)-3-cyanopropyl] ester IUPAC Name: [3-(3-chlorophenyl)-3-cyanopropyl] 3-oxobutanoate Traditional Name: 3-ketobutyric acid [3-(3-chlorophenyl)-3-cyano-propyl] ester Formula: C14H14ClNO3 MolecularWeight: 279.71886

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H14ClNO3/c1-10(17)7-14(18)19-6-5-12(9-16)11-3-2-4-13(15)8-11/h2-4,8,12H,5-7H2,1H3