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

Systemtic Name: methyl 4-cyano-4-(4-cyanopyridin-3-yl)-3-methyl-butanoate Openeye Name: methyl 4-cyano-4-(4-cyano-3-pyridyl)-3-methyl-butanoate CAS Name: 4-cyano-4-(4-cyano-3-pyridinyl)-3-methylbutanoic acid methyl ester IUPAC Name: methyl 4-cyano-4-(4-cyanopyridin-3-yl)-3-methylbutanoate Traditional Name: 4-cyano-4-(4-cyano-3-pyridyl)-3-methyl-butyric acid methyl ester Formula: C13H13N3O2 MolecularWeight: 243.26122

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13N3O2/c1-9(5-13(17)18-2)11(7-15)12-8-16-4-3-10(12)6-14/h3-4,8-9,11H,5H2,1-2H3