methyl 5-cyano-5-[4-(cyanomethyl)phenyl]-4-oxidanylidene-pentanoate

Systemtic Name: methyl 5-cyano-5-[4-(cyanomethyl)phenyl]-4-oxidanylidene-pentanoate Openeye Name: methyl 5-cyano-5-[4-(cyanomethyl)phenyl]-4-oxo-pentanoate CAS Name: 5-cyano-5-[4-(cyanomethyl)phenyl]-4-oxopentanoic acid methyl ester IUPAC Name: methyl 5-cyano-5-[4-(cyanomethyl)phenyl]-4-oxopentanoate Traditional Name: 5-cyano-5-[4-(cyanomethyl)phenyl]-4-keto-valeric acid methyl ester Formula: C15H14N2O3 MolecularWeight: 270.28326

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC(=O)C(C#N)C1=CC=C(C=C1)CC#N

Isomeric SMILES

COC(=O)CCC(=O)C(C#N)C1=CC=C(C=C1)CC#N

InChI

InChI=1S/C15H14N2O3/c1-20-15(19)7-6-14(18)13(10-17)12-4-2-11(3-5-12)8-9-16/h2-5,13H,6-8H2,1H3