methyl 4-cyano-4-(2-cyanopyridin-3-yl)butanoate

Systemtic Name: methyl 4-cyano-4-(2-cyanopyridin-3-yl)butanoate Openeye Name: methyl 4-cyano-4-(2-cyano-3-pyridyl)butanoate CAS Name: 4-cyano-4-(2-cyano-3-pyridinyl)butanoic acid methyl ester IUPAC Name: methyl 4-cyano-4-(2-cyanopyridin-3-yl)butanoate Traditional Name: 4-cyano-4-(2-cyano-3-pyridyl)butyric acid methyl ester Formula: C12H11N3O2 MolecularWeight: 229.23464

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H11N3O2/c1-17-12(16)5-4-9(7-13)10-3-2-6-15-11(10)8-14/h2-3,6,9H,4-5H2,1H3